A0A077ZFX9_TRITR Loading...

Obg-like ATPase 1

Hydrolyzes ATP, and can also hydrolyze GTP with lower efficiency. Has lower affinity for GTP.

AlphaFold DB , UniProt , Accession A0A077ZFX9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.6	Low	84.5	Confident	228 Å²	228	34.5 Å²	34.5	100%	1.123	20%	0.2	S	C	*	.				0	126.5	0	-160.1	170.4	-88.8	0	0	105.7
2	A	71.8	Confident	84.8	Confident	71 Å²	71	38.7 Å²	38.7	59%	0.587	22%	0.221	S	C	*	.			trans	-62.7	144.1	173.8	0	0	0	0	0	108.2
3	L	82	Confident	85.3	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.063	21%	0.205	C	C	.	.			trans	-73.2	141.7	170.5	-74.8	177.3	0	0	0	108.8	D98 L280 L282 R299	L3-D98 WeakPolarHBondContact CA-OD2 3.33Å; L3-D98 HydrophobicContact CD2-CB 3.61Å; L3-D98 WeakPolarHBondContact CD2-OD2 3.46Å; L3-L280 HydrophobicContact CB-CB 4.32Å; L3-L280 HydrophobicContact CB-CD1 3.99Å; L3-L280 HydrophobicContact CB-CD2 4.07Å; L3-L280 HydrophobicContact CB-CG 4.36Å; L3-L280 HydrophobicContact CD1-CB 3.8Å; L3-L280 HydrophobicContact CD1-CD2 4.41Å; L3-L280 WeakPolarHBondContact CD1-O 3.3Å; L3-L282 HydrophobicContact CB-CD1 4.32Å; L3-L282 HydrophobicContact CD1-CD1 4.32Å; L3-L282 HydrophobicContact CD1-CD2 3.53Å; L3-L282 HydrophobicContact CD1-CG 3.86Å; L3-L282 HydrophobicContact CG-CD2 4.41Å; L3-R299 VanDerWaalsContact CD1-CZ 3.42Å; L3-R299 VanDerWaalsContact CD1-NH1 3.28Å; L3-R299 VanDerWaalsContact CD2-CZ 3.47Å; L3-R299 VanDerWaalsContact CG-CZ 3.42Å
4	T	87.9	Confident	85.7	Confident	13 Å²	13	34.2 Å²	34.2	8%	0.08	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152	-179	73.8	0	0	0	0	111.3	E69 V97 D98 A99	T4-E69 WeakPolarHBondContact CA-O 3.34Å; T4-E69 HydrophobicContact CG2-CB 4.03Å; T4-E69 HydrophobicContact CG2-CG 4.2Å; T4-E69 WeakPolarHBondContact CG2-OE1 3.4Å; T4-V97 WeakPolarHBondContact OG1-CA 3.43Å; T4-D98 PolarHBondContact N-OD2 3.24Å; T4-D98 PolarHBondContact O-N 3.47Å; T4-A99 PolarHBondContact O-N 3.07Å
5	A	92.1	Very high	86.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.3	174.1	0	0	0	0	0	109.9	F68 E69 F70 T71 A99	A5-F68 HydrophobicContact CB-CE2 3.8Å; A5-F68 HydrophobicContact CB-CZ 3.59Å; A5-E69 PolarHBondContact N-O 2.83Å; A5-E69 VanDerWaalsContact N-O 3.16Å; A5-F70 HydrophobicContact CB-CD1 3.93Å; A5-F70 HydrophobicContact CB-CE1 3.89Å; A5-F70 CarbonylContact O-C 3.56Å; A5-F70 WeakPolarHBondContact O-CA 3.32Å; A5-T71 PolarHBondContact O-N 3.43Å; A5-A99 WeakPolarHBondContact CA-O 3.37Å; A5-A99 HydrophobicContact CB-CB 4.29Å
6	G	92.3	Very high	86.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.2	177.3	0	0	0	0	0	111.5	T71 A99 I100 C101	G6-T71 CarbonylContact C-O 3.5Å; G6-T71 VanDerWaalsContact CA-O 3.3Å; G6-T71 WeakPolarHBondContact CA-O 3.25Å; G6-A99 PolarHBondContact N-O 3.11Å; G6-I100 CarbonylContact O-C 3.41Å; G6-I100 WeakPolarHBondContact O-CA 3.43Å; G6-C101 PolarHBondContact O-N 3.32Å
7	I	92.9	Very high	86.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.5	173	-48.3	-171.5	0	0	0	108.9	K15 F19 I22 F70 T71 I73 C101 V103	I7-K15 HydrophobicContact CG2-CD 4.37Å; I7-K15 HydrophobicContact CG2-CG 3.81Å; I7-F19 HydrophobicContact CD1-CB 4.48Å; I7-F19 HydrophobicContact CD1-CD2 3.95Å; I7-I22 HydrophobicContact CD1-CD1 3.31Å; I7-F70 HydrophobicContact CD1-CD1 4.02Å; I7-F70 HydrophobicContact CD1-CG 4.47Å; I7-F70 HydrophobicContact CG1-CD1 3.86Å; I7-F70 HydrophobicContact CG1-CE1 4.47Å; I7-T71 PolarHBondContact N-O 3.23Å; I7-I73 WeakPolarHBondContact O-CB 3.42Å; I7-I73 WeakPolarHBondContact O-CG1 3.37Å; I7-I73 PolarHBondContact O-N 3.42Å; I7-C101 CarbonylContact C-O 3.5Å; I7-C101 WeakPolarHBondContact CA-O 3.34Å; I7-C101 HydrophobicContact CG1-CB 4.42Å; I7-V103 HydrophobicContact CG2-CG2 3.43Å; I7-V103 VanDerWaalsContact CG2-CG2 3.43Å
8	V	92.5	Very high	86.7	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.5	-179.9	-54.3	0	0	0	0	109.9	I73 F90 I94 I100 C101 H102 V103	V8-I73 HydrophobicContact CG1-CB 3.89Å; V8-I73 HydrophobicContact CG1-CG1 3.89Å; V8-I73 HydrophobicContact CG1-CG2 4.17Å; V8-F90 HydrophobicContact CB-CE2 4.29Å; V8-F90 HydrophobicContact CG1-CE2 4.13Å; V8-F90 HydrophobicContact CG1-CZ 4.49Å; V8-I94 HydrophobicContact CG1-CD1 3.84Å; V8-I94 HydrophobicContact CG1-CG1 4.08Å; V8-I100 HydrophobicContact CB-CG2 4.33Å; V8-I100 HydrophobicContact CG1-CG2 4.01Å; V8-I100 HydrophobicContact CG2-CG2 3.35Å; V8-C101 PolarHBondContact N-O 3.21Å; V8-H102 HydrophobicContact CG2-CB 3.84Å; V8-H102 CarbonylContact O-C 3.29Å; V8-H102 WeakPolarHBondContact O-CA 3.37Å; V8-V103 PolarHBondContact O-N 3.03Å
9	G	91.5	Very high	86.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.193	C	C	.	.			trans	173.6	161.2	176.1	0	0	0	0	0	110.4
10	L	89.6	Confident	86.7	Confident	12 Å²	12	34.4 Å²	34.4	6%	0.063	20%	0.201	C	C	.	.			trans	-69	166.2	172.5	-70.8	-170.5	0	0	0	111	V13 D124 T127 I128	L10-V13 HydrophobicContact CB-CG1 3.97Å; L10-V13 WeakPolarHBondContact O-CG1 3.17Å; L10-V13 WeakPolarHBondContact O-CG2 3.48Å; L10-D124 HydrophobicContact CD1-CB 3.76Å; L10-D124 VanDerWaalsContact CD1-OD1 3.29Å; L10-D124 WeakPolarHBondContact CD1-OD1 3.43Å; L10-D124 HydrophobicContact CG-CB 4.46Å; L10-T127 HydrophobicContact CD2-CG2 4.13Å; L10-I128 HydrophobicContact CD2-CD1 3.98Å; L10-I128 HydrophobicContact CD2-CG1 3.93Å; L10-I128 HydrophobicContact CG-CD1 4.03Å; L10-I128 HydrophobicContact CG-CG1 4.39Å
11	P	86.6	Confident	86.7	Confident	43 Å²	43	32.8 Å²	32.8	28%	0.279	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	145.4	173.2	-25.5	36.2	0	0	0	111.6	V13 I76	P11-V13 VanDerWaalsContact C-N 3.27Å; P11-V13 PolarHBondContact O-N 3.13Å; P11-I76 WeakPolarHBondContact CD-O 3.32Å
12	N	87.7	Confident	88.4	Confident	84 Å²	84	21.9 Å²	21.9	45%	0.449	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	18.9	175.3	-53.6	-23.9	0	0	0	116.3	G14 I112 T113	N12-G14 VanDerWaalsContact C-N 3.33Å; N12-I112 HydrophobicContact CB-CG2 3.72Å; N12-T113 PolarHBondContact ND2-O 3.14Å
13	V	91.5	Very high	88.7	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.012	12%	0.123	C	C	.	.	S	Bend	trans	-84.9	-2.3	174.6	-56.1	0	0	0	0	114.3	L10 P11 K15 V103 R105 N207	L10-V13 HydrophobicContact CB-CG1 3.97Å; L10-V13 WeakPolarHBondContact O-CG1 3.17Å; L10-V13 WeakPolarHBondContact O-CG2 3.48Å; P11-V13 VanDerWaalsContact C-N 3.27Å; P11-V13 PolarHBondContact O-N 3.13Å; V13-K15 HydrophobicContact CG2-CB 4.15Å; V13-V103 HydrophobicContact CB-CG1 4.41Å; V13-V103 HydrophobicContact CG2-CB 4.01Å; V13-V103 HydrophobicContact CG2-CG1 3.87Å; V13-R105 HydrophobicContact CB-CB 4.13Å; V13-R105 HydrophobicContact CG1-CB 4.01Å; V13-N207 PolarHBondContact O-ND2 2.93Å
14	G	91.3	Very high	88.6	Confident	13 Å²	13	23.2 Å²	23.2	13%	0.134	13%	0.134	C	C	.	.	S	Bend	trans	91.3	10.3	-175	0	0	0	0	0	115.2	N12 S16 T17 L18	N12-G14 VanDerWaalsContact C-N 3.33Å; G14-S16 PolarHBondContact O-N 3.24Å; G14-T17 PolarHBondContact O-N 3.05Å; G14-L18 WeakPolarHBondContact O-CB 3.42Å; G14-L18 PolarHBondContact O-N 3.42Å
15	K	90.5	Very high	87.8	Confident	19 Å²	19	24.7 Å²	24.7	8%	0.083	15%	0.147	C	C	.	.	H	α-helix	trans	-52.2	-48.3	177.7	-177.7	178.9	69.6	68.6	0	113.3	I7 V13 L18 F19 D72 I73	I7-K15 HydrophobicContact CG2-CD 4.37Å; I7-K15 HydrophobicContact CG2-CG 3.81Å; V13-K15 HydrophobicContact CG2-CB 4.15Å; K15-L18 PolarHBondContact O-N 2.76Å; K15-F19 WeakPolarHBondContact O-CB 3.46Å; K15-F19 PolarHBondContact O-N 3.35Å; K15-D72 IonicContact NZ-OD1 2.76Å; K15-D72 PolarHBondContact NZ-OD1 3.2Å; K15-D72 IonicContact NZ-OD2 2.79Å; K15-D72 PolarHBondContact NZ-OD2 3.16Å; K15-I73 WeakPolarHBondContact CE-O 3.39Å; K15-I73 PolarHBondContact NZ-O 3.04Å; K15-I73 VanDerWaalsContact NZ-O 3.1Å
16	S	87.3	Confident	86.4	Confident	70 Å²	70	24.9 Å²	24.9	49%	0.49	15%	0.149	S	C	.	.	H	α-helix	trans	-68.7	-39.9	-178.1	-64	0	0	0	0	112.3	G14 F19 N20	G14-S16 PolarHBondContact O-N 3.24Å; S16-F19 PolarHBondContact O-N 3.44Å; S16-N20 WeakPolarHBondContact O-CB 3.28Å; S16-N20 PolarHBondContact O-N 3.3Å; S16-N20 PolarHBondContact O-ND2 2.84Å; S16-N20 PolarHBondContact O-OD1 3.44Å
17	T	90.6	Very high	84.7	Confident	38 Å²	38	27.8 Å²	27.8	23%	0.233	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-48.6	174	-48.3	0	0	0	0	110.5	G14 F19 N20 A21 A241 E245	G14-T17 PolarHBondContact O-N 3.05Å; T17-F19 PolarHBondContact O-N 3.19Å; T17-N20 WeakPolarHBondContact O-CB 3.25Å; T17-N20 PolarHBondContact O-N 3.41Å; T17-A21 PolarHBondContact O-N 3.3Å; T17-A241 HydrophobicContact CG2-CB 4.09Å; T17-A241 VanDerWaalsContact CG2-O 3.25Å; T17-A241 WeakPolarHBondContact CG2-O 3.34Å; T17-E245 HydrophobicContact CG2-CB 4.09Å; T17-E245 WeakPolarHBondContact CG2-OE2 3.19Å
18	L	91.1	Very high	82.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-43.7	177.6	-174.4	67.2	0	0	0	112.4	G14 K15 N20 A21 I22 V103 V205 V239 A241 L269 L272	G14-L18 WeakPolarHBondContact O-CB 3.42Å; G14-L18 PolarHBondContact O-N 3.42Å; K15-L18 PolarHBondContact O-N 2.76Å; L18-N20 VanDerWaalsContact C-N 3.3Å; L18-N20 PolarHBondContact O-N 2.9Å; L18-A21 WeakPolarHBondContact O-CB 3.3Å; L18-A21 PolarHBondContact O-N 3.14Å; L18-I22 HydrophobicContact CG-CD1 4.36Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.16Å; L18-I22 PolarHBondContact O-N 3.42Å; L18-V103 HydrophobicContact CD2-CG2 3.73Å; L18-V205 HydrophobicContact CD2-CG1 3.9Å; L18-V239 HydrophobicContact CD1-CG2 4.26Å; L18-A241 HydrophobicContact CB-CB 4.24Å; L18-L269 HydrophobicContact CD1-CD1 4.16Å; L18-L272 HydrophobicContact CD1-CD2 4.22Å; L18-L272 HydrophobicContact CD2-CD2 3.9Å; L18-L272 HydrophobicContact CG-CD2 4.28Å
19	F	87.9	Confident	80.8	Confident	13 Å²	13	34.2 Å²	34.2	6%	0.057	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-35.1	176.7	-173.8	-98.1	0	0	0	112.2	I7 K15 S16 T17 I22 T23 F70 D72	I7-F19 HydrophobicContact CD1-CB 4.48Å; I7-F19 HydrophobicContact CD1-CD2 3.95Å; K15-F19 WeakPolarHBondContact O-CB 3.46Å; K15-F19 PolarHBondContact O-N 3.35Å; S16-F19 PolarHBondContact O-N 3.44Å; T17-F19 PolarHBondContact O-N 3.19Å; F19-I22 PolarHBondContact O-N 3.42Å; F19-T23 HydrophobicContact CD1-CG2 3.98Å; F19-T23 HydrophobicContact CE1-CG2 3.53Å; F19-T23 HydrophobicContact CE2-CG2 4.32Å; F19-T23 HydrophobicContact CZ-CG2 3.72Å; F19-T23 WeakPolarHBondContact O-CB 3.33Å; F19-T23 WeakPolarHBondContact O-CG2 3.41Å; F19-T23 PolarHBondContact O-N 2.8Å; F19-T23 PolarHBondContact O-OG1 3.45Å; F19-F70 HydrophobicContact CE2-CB 4.4Å; F19-D72 HydrophobicContact CD1-CB 4.04Å; F19-D72 HydrophobicContact CD2-CB 3.75Å; F19-D72 HydrophobicContact CE1-CB 4Å; F19-D72 HydrophobicContact CE2-CB 3.72Å; F19-D72 HydrophobicContact CG-CB 3.91Å; F19-D72 HydrophobicContact CZ-CB 3.85Å
20	N	85.7	Confident	78.9	Confident	69 Å²	69	37.5 Å²	37.5	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-43	172.2	-72.1	-11.6	0	0	0	111.2	S16 T17 L18 I22 T23 K24	S16-N20 WeakPolarHBondContact O-CB 3.28Å; S16-N20 PolarHBondContact O-N 3.3Å; S16-N20 PolarHBondContact O-ND2 2.84Å; S16-N20 PolarHBondContact O-OD1 3.44Å; T17-N20 WeakPolarHBondContact O-CB 3.25Å; T17-N20 PolarHBondContact O-N 3.41Å; L18-N20 VanDerWaalsContact C-N 3.3Å; L18-N20 PolarHBondContact O-N 2.9Å; N20-I22 PolarHBondContact O-N 2.74Å; N20-T23 WeakPolarHBondContact CA-OG1 3.26Å; N20-T23 PolarHBondContact O-N 3.03Å; N20-T23 PolarHBondContact O-OG1 2.89Å; N20-K24 WeakPolarHBondContact O-CB 3.5Å; N20-K24 VanDerWaalsContact O-CG 3.26Å; N20-K24 WeakPolarHBondContact O-CG 3.32Å; N20-K24 PolarHBondContact O-N 3.4Å
21	A	88.3	Confident	77.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-47.3	174.6	0	0	0	0	0	111.4	T17 L18 T23 K24 A25 E244 E245 A248 L269	T17-A21 PolarHBondContact O-N 3.3Å; L18-A21 WeakPolarHBondContact O-CB 3.3Å; L18-A21 PolarHBondContact O-N 3.14Å; A21-T23 PolarHBondContact O-N 3.14Å; A21-K24 PolarHBondContact O-N 3.46Å; A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 3.35Å; A21-E244 HydrophobicContact CB-CB 3.97Å; A21-E245 HydrophobicContact CB-CB 4.43Å; A21-A248 HydrophobicContact CB-CB 4.39Å; A21-L269 HydrophobicContact CB-CD1 4.07Å
22	I	85.2	Confident	75.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.6	-49.9	174.6	-70.8	172.8	0	0	0	110.9	I7 L18 F19 N20 G26 V44 F70 L269 L272	I7-I22 HydrophobicContact CD1-CD1 3.31Å; L18-I22 HydrophobicContact CG-CD1 4.36Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.16Å; L18-I22 PolarHBondContact O-N 3.42Å; F19-I22 PolarHBondContact O-N 3.42Å; N20-I22 PolarHBondContact O-N 2.74Å; I22-G26 PolarHBondContact O-N 2.85Å; I22-V44 HydrophobicContact CB-CG1 4.35Å; I22-V44 HydrophobicContact CG2-CG1 3.32Å; I22-V44 WeakPolarHBondContact O-CG1 3.28Å; I22-F70 HydrophobicContact CD1-CD1 4.48Å; I22-F70 HydrophobicContact CD1-CD2 4.25Å; I22-F70 HydrophobicContact CD1-CE2 4.32Å; I22-F70 HydrophobicContact CD1-CG 4.31Å; I22-F70 HydrophobicContact CD1-CZ 4.49Å; I22-F70 HydrophobicContact CG2-CB 4.22Å; I22-F70 HydrophobicContact CG2-CD2 3.69Å; I22-F70 HydrophobicContact CG2-CE2 4.35Å; I22-F70 HydrophobicContact CG2-CG 4.18Å; I22-L269 HydrophobicContact CB-CD1 4.3Å; I22-L269 HydrophobicContact CD1-CD1 4.4Å; I22-L269 HydrophobicContact CG1-CD1 3.33Å; I22-L269 HydrophobicContact CG1-CG 4.38Å; I22-L272 HydrophobicContact CD1-CD2 4.08Å
23	T	79.2	Confident	73.6	Confident	45 Å²	45	45.9 Å²	45.9	28%	0.276	28%	0.275	S	S	.	.	H	α-helix	trans	-71.6	-32.6	-176.7	49.1	0	0	0	0	113.4	F19 N20 A21 G26 A27	F19-T23 HydrophobicContact CD1-CG2 3.98Å; F19-T23 HydrophobicContact CE1-CG2 3.53Å; F19-T23 HydrophobicContact CE2-CG2 4.32Å; F19-T23 HydrophobicContact CZ-CG2 3.72Å; F19-T23 WeakPolarHBondContact O-CB 3.33Å; F19-T23 WeakPolarHBondContact O-CG2 3.41Å; F19-T23 PolarHBondContact O-N 2.8Å; F19-T23 PolarHBondContact O-OG1 3.45Å; N20-T23 WeakPolarHBondContact CA-OG1 3.26Å; N20-T23 PolarHBondContact O-N 3.03Å; N20-T23 PolarHBondContact O-OG1 2.89Å; A21-T23 PolarHBondContact O-N 3.14Å; T23-G26 CarbonylContact O-C 3.34Å; T23-G26 PolarHBondContact O-N 3.18Å; T23-A27 PolarHBondContact O-N 3.26Å
24	K	79	Confident	71.7	Confident	66 Å²	66	54.3 Å²	54.3	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-47.6	173.3	-74.6	176.4	-171.8	176.4	0	111.3	N20 A21 G26 A27 E245 A248 E249	N20-K24 WeakPolarHBondContact O-CB 3.5Å; N20-K24 VanDerWaalsContact O-CG 3.26Å; N20-K24 WeakPolarHBondContact O-CG 3.32Å; N20-K24 PolarHBondContact O-N 3.4Å; A21-K24 PolarHBondContact O-N 3.46Å; K24-G26 PolarHBondContact O-N 3.41Å; K24-A27 WeakPolarHBondContact O-CB 3.34Å; K24-A27 PolarHBondContact O-N 2.94Å; K24-E245 VanDerWaalsContact NZ-CG 3.26Å; K24-E245 IonicContact NZ-OE1 2.68Å; K24-E245 PolarHBondContact NZ-OE1 3.12Å; K24-A248 HydrophobicContact CB-CB 3.99Å; K24-E249 HydrophobicContact CD-CG 4.15Å; K24-E249 WeakPolarHBondContact CE-OE1 3.31Å; K24-E249 IonicContact NZ-OE1 2.76Å; K24-E249 PolarHBondContact NZ-OE1 2.7Å
25	A	71.6	Confident	69.8	Low	43 Å²	43	55.4 Å²	55.4	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-58.7	-33.1	171.3	0	0	0	0	0	111.4	A21 L269	A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 3.35Å; A25-L269 HydrophobicContact CB-CD2 3.64Å
26	G	63.4	Low	67.9	Low	4 Å²	4	58 Å²	58	4%	0.041	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-81.8	-0.1	174.6	0	0	0	0	0	116.1	I22 T23 K24 E28 A29 A30 M43	I22-G26 PolarHBondContact O-N 2.85Å; T23-G26 CarbonylContact O-C 3.34Å; T23-G26 PolarHBondContact O-N 3.18Å; K24-G26 PolarHBondContact O-N 3.41Å; G26-E28 PolarHBondContact O-N 3.35Å; G26-E28 VanDerWaalsContact O-N 3.11Å; G26-A29 VanDerWaalsContact O-CA 3.32Å; G26-A29 WeakPolarHBondContact O-CA 3.45Å; G26-A29 VanDerWaalsContact O-CB 3.27Å; G26-A29 WeakPolarHBondContact O-CB 3.14Å; G26-A29 PolarHBondContact O-N 3.47Å; G26-A30 PolarHBondContact O-N 2.8Å; G26-M43 VanDerWaalsContact CA-O 3.26Å; G26-M43 WeakPolarHBondContact CA-O 3.4Å
27	A	55	Low	66.3	Low	62 Å²	62	62.7 Å²	62.7	51%	0.512	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.3	-177.1	0	0	0	0	0	112.3	T23 K24 A29 A30	T23-A27 PolarHBondContact O-N 3.26Å; K24-A27 WeakPolarHBondContact O-CB 3.34Å; K24-A27 PolarHBondContact O-N 2.94Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-A30 WeakPolarHBondContact O-CB 3.49Å; A27-A30 PolarHBondContact O-N 3.14Å
28	E	52	Low	64.9	Low	136 Å²	136	64.3 Å²	64.3	64%	0.636	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-67.7	-34.6	171.6	-57.5	-156.5	147.4	0	0	112.3	G26 A30 N31	G26-E28 PolarHBondContact O-N 3.35Å; G26-E28 VanDerWaalsContact O-N 3.11Å; E28-A30 VanDerWaalsContact C-N 3.27Å; E28-A30 PolarHBondContact O-N 2.96Å; E28-N31 PolarHBondContact O-N 3.22Å; E28-N31 PolarHBondContact O-ND2 3.27Å
29	A	51.1	Low	63.4	Low	0 Å²	0	69.5 Å²	69.5	0%	0	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-72.3	-13.1	177.2	0	0	0	0	0	114.4	G26 A27 N31 Y32 M43 E45 T67	G26-A29 VanDerWaalsContact O-CA 3.32Å; G26-A29 WeakPolarHBondContact O-CA 3.45Å; G26-A29 VanDerWaalsContact O-CB 3.27Å; G26-A29 WeakPolarHBondContact O-CB 3.14Å; G26-A29 PolarHBondContact O-N 3.47Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A29-N31 PolarHBondContact O-N 3.34Å; A29-Y32 VanDerWaalsContact CA-CD2 3.48Å; A29-Y32 HydrophobicContact CB-CD2 4.2Å; A29-Y32 HydrophobicContact CB-CE2 4.19Å; A29-Y32 WeakPolarHBondContact O-CD2 3.35Å; A29-Y32 PolarHBondContact O-N 2.9Å; A29-M43 HydrophobicContact CB-CB 4.1Å; A29-M43 HydrophobicContact CB-CG 3.92Å; A29-M43 WeakPolarHBondContact CB-O 3.15Å; A29-M43 HydrophobicContact CB-SD 4.38Å; A29-E45 HydrophobicContact CB-CG 4.16Å; A29-T67 HydrophobicContact CB-CG2 4.26Å
30	A	52	Low	62.6	Low	68 Å²	68	71.9 Å²	71.9	56%	0.562	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-64.6	-17.5	173.9	0	0	0	0	0	113.2	G26 A27 E28 Y32	G26-A30 PolarHBondContact O-N 2.8Å; A27-A30 WeakPolarHBondContact O-CB 3.49Å; A27-A30 PolarHBondContact O-N 3.14Å; E28-A30 VanDerWaalsContact C-N 3.27Å; E28-A30 PolarHBondContact O-N 2.96Å; A30-Y32 VanDerWaalsContact C-N 3.26Å; A30-Y32 PolarHBondContact O-N 3.36Å
31	N	51.8	Low	62.3	Low	145 Å²	145	69.8 Å²	69.8	78%	0.775	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-79.8	0.8	178.2	-67.3	-53.5	0	0	0	114.3	E28 A29	E28-N31 PolarHBondContact O-N 3.22Å; E28-N31 PolarHBondContact O-ND2 3.27Å; A29-N31 PolarHBondContact O-N 3.34Å
32	Y	53.7	Low	61.8	Low	58 Å²	58	70 Å²	70	23%	0.227	40%	0.402	C	S	.	.	S	Bend	trans	-85.2	141.3	-175.8	-72	-107.3	0	0	0	111.9	A29 A30 F34 A35 E45 T67	A29-Y32 VanDerWaalsContact CA-CD2 3.48Å; A29-Y32 HydrophobicContact CB-CD2 4.2Å; A29-Y32 HydrophobicContact CB-CE2 4.19Å; A29-Y32 WeakPolarHBondContact O-CD2 3.35Å; A29-Y32 PolarHBondContact O-N 2.9Å; A30-Y32 VanDerWaalsContact C-N 3.26Å; A30-Y32 PolarHBondContact O-N 3.36Å; Y32-F34 PolarHBondContact O-N 2.88Å; Y32-A35 PolarHBondContact O-N 3.41Å; Y32-A35 VanDerWaalsContact O-N 3.14Å; Y32-E45 PolarHBondContact OH-OE1 2.96Å; Y32-T67 HydrophobicContact CE1-CG2 4.19Å; Y32-T67 HydrophobicContact CE2-CG2 4.18Å
33	P	47.3	Very low	61.7	Low	112 Å²	112	71.7 Å²	71.7	73%	0.727	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	2	-168.8	-24.3	33.6	0	0	0	118
34	F	52.9	Low	61.9	Low	180 Å²	180	69.6 Å²	69.6	79%	0.789	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.1	17.1	-176.5	-55.1	-72.3	0	0	0	112.7	Y32 T36	Y32-F34 PolarHBondContact O-N 2.88Å; F34-T36 PolarHBondContact O-N 3.13Å
35	A	50.4	Low	62.4	Low	35 Å²	35	68.9 Å²	68.9	29%	0.289	40%	0.395	S	S	.	.			trans	-58.6	122.2	172.4	0	0	0	0	0	109.6	Y32 M43	Y32-A35 PolarHBondContact O-N 3.41Å; Y32-A35 VanDerWaalsContact O-N 3.14Å; A35-M43 HydrophobicContact CB-CE 4.42Å
36	T	51.6	Low	63.3	Low	73 Å²	73	67.2 Å²	67.2	45%	0.448	38%	0.38	S	S	.	.			trans	-66.7	139.4	-179.5	-51.6	0	0	0	0	109.4	F34 D38 E69	F34-T36 PolarHBondContact O-N 3.13Å; T36-D38 HydrophobicContact CG2-CB 3.81Å; T36-D38 PolarHBondContact O-N 3.29Å; T36-E69 PolarHBondContact OG1-OE2 3.21Å
37	I	52.7	Low	64.5	Low	169 Å²	169	68.8 Å²	68.8	87%	0.867	39%	0.389	S	S	*	.			trans	-84.4	7.7	177.5	-52.3	164.7	0	0	0	111.1	P39	I37-P39 WeakPolarHBondContact O-CD 3.47Å
38	D	61.5	Low	66.3	Low	72 Å²	72	66.7 Å²	66.7	39%	0.385	37%	0.369	S	S	.	.			trans	-72.6	121.5	178.9	-167.1	-38.7	0	0	0	108.1	T36 N40 V41	T36-D38 HydrophobicContact CG2-CB 3.81Å; T36-D38 PolarHBondContact O-N 3.29Å; D38-N40 PolarHBondContact O-N 3.2Å; D38-N40 WeakPolarHBondContact OD1-CB 3.25Å; D38-N40 PolarHBondContact OD1-N 2.74Å; D38-N40 PolarHBondContact OD1-ND2 2.97Å; D38-V41 HydrophobicContact CB-CB 4.01Å; D38-V41 HydrophobicContact CB-CG2 3.73Å; D38-V41 PolarHBondContact O-N 3.39Å
39	P	58.5	Low	68.2	Low	110 Å²	110	67 Å²	67	71%	0.714	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.9	-178.6	26.2	-36.4	0	0	0	113.1	I37 V41	I37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-V41 VanDerWaalsContact C-N 3.34Å
40	N	72	Confident	70.4	Confident	63 Å²	63	68.6 Å²	68.6	34%	0.337	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	9.5	178	-47.2	-70.1	0	0	0	111.9	D38 T71 D72	D38-N40 PolarHBondContact O-N 3.2Å; D38-N40 WeakPolarHBondContact OD1-CB 3.25Å; D38-N40 PolarHBondContact OD1-N 2.74Å; D38-N40 PolarHBondContact OD1-ND2 2.97Å; N40-T71 CarbonylContact O-C 3.57Å; N40-T71 VanDerWaalsContact O-CA 3.23Å; N40-T71 WeakPolarHBondContact O-CA 3.48Å; N40-D72 HydrophobicContact CB-CB 4.16Å; N40-D72 PolarHBondContact O-N 3.48Å
41	V	78.3	Confident	72.5	Confident	25 Å²	25	66 Å²	66	15%	0.152	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119	-177.7	176.4	0	0	0	0	109.5	D38 P39 E69 F70 T71	D38-V41 HydrophobicContact CB-CB 4.01Å; D38-V41 HydrophobicContact CB-CG2 3.73Å; D38-V41 PolarHBondContact O-N 3.39Å; P39-V41 VanDerWaalsContact C-N 3.34Å; V41-E69 HydrophobicContact CG1-CG 3.21Å; V41-E69 WeakPolarHBondContact CG1-OE1 3.4Å; V41-E69 WeakPolarHBondContact CG1-OE2 3.28Å; V41-F70 CarbonylContact C-O 3.58Å; V41-F70 WeakPolarHBondContact CA-O 3.34Å; V41-T71 HydrophobicContact CG2-CG2 4.14Å
42	G	78.3	Confident	74.5	Confident	5 Å²	5	65 Å²	65	5%	0.052	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.8	178	0	0	0	0	0	111	E69 F70	G42-E69 WeakPolarHBondContact O-CA 3.26Å; G42-F70 PolarHBondContact N-O 3.49Å; G42-F70 PolarHBondContact O-N 2.92Å
43	M	82.8	Confident	76.6	Confident	35 Å²	35	66.1 Å²	66.1	17%	0.172	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.5	169.8	-170.2	174.3	-62.9	0	0	108.8	G26 A29 A35 T67 F68	G26-M43 VanDerWaalsContact CA-O 3.26Å; G26-M43 WeakPolarHBondContact CA-O 3.4Å; A29-M43 HydrophobicContact CB-CB 4.1Å; A29-M43 HydrophobicContact CB-CG 3.92Å; A29-M43 WeakPolarHBondContact CB-O 3.15Å; A29-M43 HydrophobicContact CB-SD 4.38Å; A35-M43 HydrophobicContact CB-CE 4.42Å; M43-T67 HydrophobicContact CG-CG2 4.33Å; M43-T67 HydrophobicContact SD-CG2 4.26Å; M43-T67 PolarHBondContact SD-OG1 2.95Å; M43-F68 WeakPolarHBondContact CA-O 3.46Å
44	V	84.7	Confident	78.9	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.6	177.5	-67	0	0	0	0	110.9	I22 T67 F68 F70 I273	I22-V44 HydrophobicContact CB-CG1 4.35Å; I22-V44 HydrophobicContact CG2-CG1 3.32Å; I22-V44 WeakPolarHBondContact O-CG1 3.28Å; V44-T67 CarbonylContact O-C 3.41Å; V44-T67 WeakPolarHBondContact O-CA 3.35Å; V44-T67 VanDerWaalsContact O-CB 3.32Å; V44-T67 WeakPolarHBondContact O-CB 3.25Å; V44-F68 HydrophobicContact CG2-CD1 4Å; V44-F68 HydrophobicContact CG2-CE1 4.42Å; V44-F68 PolarHBondContact N-O 3.31Å; V44-F68 PolarHBondContact O-N 3.38Å; V44-F70 HydrophobicContact CG2-CD2 3.8Å; V44-F70 HydrophobicContact CG2-CE2 3.84Å; V44-I273 HydrophobicContact CB-CD1 4.22Å; V44-I273 HydrophobicContact CG2-CD1 4.21Å; V44-I273 HydrophobicContact CG2-CG1 4.11Å; V44-I273 HydrophobicContact CG2-CG2 3.94Å
45	E	89	Confident	81	Confident	51 Å²	51	54 Å²	54	24%	0.238	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.3	166.7	-50.4	-156.5	139.5	0	0	108.4	A29 Y32 P47 P65 T66 T67	A29-E45 HydrophobicContact CB-CG 4.16Å; Y32-E45 PolarHBondContact OH-OE1 2.96Å; E45-P47 VanDerWaalsContact O-CD 3.3Å; E45-P47 WeakPolarHBondContact O-CD 3.36Å; E45-P65 HydrophobicContact CB-CB 4.35Å; E45-P65 HydrophobicContact CB-CG 4.15Å; E45-P65 HydrophobicContact CG-CG 4.1Å; E45-P65 VanDerWaalsContact OE1-CG 3.27Å; E45-P65 WeakPolarHBondContact OE1-CG 3.39Å; E45-P65 WeakPolarHBondContact OE2-CG 3.42Å; E45-T66 WeakPolarHBondContact CA-O 3.16Å; E45-T67 HydrophobicContact CG-CG2 4.13Å
46	V	90.3	Very high	83.1	Confident	7 Å²	7	57.6 Å²	57.6	4%	0.042	29%	0.291	C	S	.	.			trans	-86.3	114.7	177.8	-179.1	0	0	0	0	107.5	D48 T66 F68 I273 Y277	V46-D48 PolarHBondContact O-N 2.98Å; V46-T66 HydrophobicContact CB-CG2 3.66Å; V46-T66 HydrophobicContact CG1-CG2 4.42Å; V46-T66 HydrophobicContact CG2-CG2 3.8Å; V46-T66 PolarHBondContact N-O 2.62Å; V46-F68 HydrophobicContact CG2-CB 4.33Å; V46-I273 HydrophobicContact CB-CG2 4.36Å; V46-I273 HydrophobicContact CG1-CG2 4.38Å; V46-I273 HydrophobicContact CG2-CG2 4.14Å; V46-Y277 HydrophobicContact CG1-CD1 4.44Å; V46-Y277 HydrophobicContact CG1-CG 4.26Å; V46-Y277 HydrophobicContact CG2-CD2 3.76Å; V46-Y277 HydrophobicContact CG2-CE2 4.07Å; V46-Y277 HydrophobicContact CG2-CG 4.27Å
47	P	88.1	Confident	85.1	Confident	38 Å²	38	56.3 Å²	56.3	25%	0.247	28%	0.281	C	S	.	.			trans	-61	124.1	178.3	-21.5	33.7	0	0	0	110.3	E45 D270	E45-P47 VanDerWaalsContact O-CD 3.3Å; E45-P47 WeakPolarHBondContact O-CD 3.36Å; P47-D270 HydrophobicContact CB-CB 4.29Å; P47-D270 HydrophobicContact CG-CB 3.86Å; P47-D270 WeakPolarHBondContact CG-OD1 3.33Å
48	D	92.6	Very high	87.1	Confident	17 Å²	17	50.3 Å²	50.3	9%	0.091	25%	0.253	C	S	.	.			trans	-146.8	95.6	-178.3	-163.1	-27.5	0	0	0	110.3	V46 R50 L51 F286	V46-D48 PolarHBondContact O-N 2.98Å; D48-R50 PolarHBondContact O-N 3.42Å; D48-R50 WeakPolarHBondContact OD1-CB 3.37Å; D48-R50 VanDerWaalsContact OD1-CG 3.3Å; D48-R50 WeakPolarHBondContact OD1-CG 3.38Å; D48-R50 IonicContact OD1-CZ 3.94Å; D48-R50 PolarHBondContact OD1-N 2.95Å; D48-R50 VanDerWaalsContact OD1-N 3.12Å; D48-R50 IonicContact OD1-NE 2.63Å; D48-R50 PolarHBondContact OD1-NE 2.72Å; D48-R50 IonicContact OD1-NH2 3.2Å; D48-R50 IonicContact OD2-CZ 2.87Å; D48-R50 IonicContact OD2-NE 2.85Å; D48-R50 PolarHBondContact OD2-NE 2.6Å; D48-R50 IonicContact OD2-NH2 3.77Å; D48-R50 PolarHBondContact OD2-NH2 3.02Å; D48-L51 HydrophobicContact CB-CB 4.46Å; D48-L51 WeakPolarHBondContact O-CA 3.45Å; D48-L51 WeakPolarHBondContact O-CB 3.49Å; D48-L51 PolarHBondContact O-N 2.88Å; D48-F286 WeakPolarHBondContact OD2-CZ 3.35Å
49	W	93.1	Very high	88.6	Confident	142 Å²	142	54.1 Å²	54.1	54%	0.538	27%	0.268	S	S	.	.	H	α-helix	trans	-54.1	-24.3	178.6	72.7	-90	0	0	0	113.2	L51 E52 R53 F327	W49-L51 VanDerWaalsContact C-N 3.25Å; W49-L51 PolarHBondContact O-N 3.13Å; W49-E52 PolarHBondContact O-N 3.5Å; W49-R53 HydrophobicContact CE3-CB 4.24Å; W49-R53 HydrophobicContact CZ3-CB 4.43Å; W49-R53 VanDerWaalsContact O-CB 3.3Å; W49-R53 WeakPolarHBondContact O-CB 3.43Å; W49-R53 PolarHBondContact O-N 3.32Å; W49-F327 HydrophobicContact CE3-CE1 4.41Å; W49-F327 HydrophobicContact CE3-CZ 4.06Å; W49-F327 HydrophobicContact CH2-CD1 4.4Å; W49-F327 AromaticContact CH2-CE1 3.28Å; W49-F327 HydrophobicContact CH2-CE1 3.28Å; W49-F327 AromaticContact CH2-CZ 3.7Å; W49-F327 HydrophobicContact CH2-CZ 3.7Å; W49-F327 AromaticContact CZ2-CE1 3.85Å; W49-F327 HydrophobicContact CZ2-CE1 3.85Å; W49-F327 HydrophobicContact CZ2-CZ 4.44Å; W49-F327 AromaticContact CZ3-CE1 3.58Å; W49-F327 HydrophobicContact CZ3-CE1 3.58Å; W49-F327 AromaticContact CZ3-CZ 3.45Å; W49-F327 HydrophobicContact CZ3-CZ 3.45Å; W49-F327 VanDerWaalsContact CZ3-CZ 3.45Å
50	R	96.8	Very high	90.4	Very high	35 Å²	35	49.9 Å²	49.9	13%	0.132	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-33.7	176.3	-55.1	175.1	-67.6	-171.2	1	110.7	D48 L54 F286 F327 D356	D48-R50 PolarHBondContact O-N 3.42Å; D48-R50 WeakPolarHBondContact OD1-CB 3.37Å; D48-R50 VanDerWaalsContact OD1-CG 3.3Å; D48-R50 WeakPolarHBondContact OD1-CG 3.38Å; D48-R50 IonicContact OD1-CZ 3.94Å; D48-R50 PolarHBondContact OD1-N 2.95Å; D48-R50 VanDerWaalsContact OD1-N 3.12Å; D48-R50 IonicContact OD1-NE 2.63Å; D48-R50 PolarHBondContact OD1-NE 2.72Å; D48-R50 IonicContact OD1-NH2 3.2Å; D48-R50 IonicContact OD2-CZ 2.87Å; D48-R50 IonicContact OD2-NE 2.85Å; D48-R50 PolarHBondContact OD2-NE 2.6Å; D48-R50 IonicContact OD2-NH2 3.77Å; D48-R50 PolarHBondContact OD2-NH2 3.02Å; R50-L54 WeakPolarHBondContact O-CB 3.4Å; R50-L54 WeakPolarHBondContact O-CG 3.31Å; R50-L54 PolarHBondContact O-N 3.36Å; R50-F286 HydrophobicContact CB-CE2 3.93Å; R50-F286 HydrophobicContact CB-CZ 3.77Å; R50-F327 HydrophobicContact CB-CD1 4.16Å; R50-F327 HydrophobicContact CB-CD2 3.64Å; R50-F327 HydrophobicContact CB-CE1 4.13Å; R50-F327 HydrophobicContact CB-CE2 3.57Å; R50-F327 HydrophobicContact CB-CG 3.93Å; R50-F327 HydrophobicContact CB-CZ 3.82Å; R50-F327 HydrophobicContact CG-CD1 3.73Å; R50-F327 HydrophobicContact CG-CD2 4.17Å; R50-F327 HydrophobicContact CG-CE1 3.71Å; R50-F327 HydrophobicContact CG-CE2 4.11Å; R50-F327 HydrophobicContact CG-CG 3.98Å; R50-F327 HydrophobicContact CG-CZ 3.88Å; R50-F327 WeakPolarHBondContact O-CE2 3.4Å; R50-D356 IonicContact CZ-OD1 3.79Å; R50-D356 IonicContact CZ-OD2 2.76Å; R50-D356 IonicContact NH1-OD1 3.79Å; R50-D356 IonicContact NH1-OD2 3.67Å; R50-D356 PolarHBondContact NH1-OD2 2.92Å; R50-D356 IonicContact NH2-OD1 2.86Å; R50-D356 PolarHBondContact NH2-OD1 3.31Å; R50-D356 IonicContact NH2-OD2 3.98Å; R50-D356 PolarHBondContact NH2-OD2 3.36Å
51	L	96.7	Very high	91.6	Very high	12 Å²	12	54.5 Å²	54.5	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-46	175.8	-176	68.1	0	0	0	111.7	D48 W49 R53 L54 T55 T63 P65 F286 V293 A295	D48-L51 HydrophobicContact CB-CB 4.46Å; D48-L51 WeakPolarHBondContact O-CA 3.45Å; D48-L51 WeakPolarHBondContact O-CB 3.49Å; D48-L51 PolarHBondContact O-N 2.88Å; W49-L51 VanDerWaalsContact C-N 3.25Å; W49-L51 PolarHBondContact O-N 3.13Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-L54 PolarHBondContact O-N 3.16Å; L51-T55 WeakPolarHBondContact O-CB 3.43Å; L51-T55 PolarHBondContact O-N 3.04Å; L51-T55 PolarHBondContact O-OG1 2.92Å; L51-T63 HydrophobicContact CD1-CG2 3.94Å; L51-T63 HydrophobicContact CD2-CG2 3.75Å; L51-T63 HydrophobicContact CG-CG2 3.61Å; L51-P65 VanDerWaalsContact CD2-CA 3.44Å; L51-P65 HydrophobicContact CD2-CB 3.67Å; L51-F286 HydrophobicContact CB-CE1 3.96Å; L51-F286 HydrophobicContact CD1-CD1 3.94Å; L51-F286 HydrophobicContact CD1-CE1 4.04Å; L51-V293 HydrophobicContact CD1-CG1 3.68Å; L51-A295 HydrophobicContact CD1-CB 4.16Å; L51-A295 HydrophobicContact CD2-CB 4.39Å
52	E	93.7	Very high	92.4	Very high	125 Å²	125	59.2 Å²	59.2	58%	0.584	28%	0.276	S	S	*	.	H	α-helix	trans	-59.2	-48.4	175	-68.7	162.5	-151.6	0	0	109.9	W49 L54 T55 E56	W49-E52 PolarHBondContact O-N 3.5Å; E52-L54 VanDerWaalsContact C-N 3.35Å; E52-L54 PolarHBondContact O-N 2.81Å; E52-T55 CarbonylContact O-C 3.56Å; E52-T55 WeakPolarHBondContact O-CA 3.41Å; E52-T55 WeakPolarHBondContact O-CB 3.31Å; E52-T55 PolarHBondContact O-N 3.44Å; E52-E56 PolarHBondContact O-N 3.16Å
53	R	96.4	Very high	93.2	Very high	82 Å²	82	61.5 Å²	61.5	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-41.3	178.9	-175.2	55.9	-178.8	158.9	4.2	112.9	W49 L51 T55 E56 L57 F327 D331	W49-R53 HydrophobicContact CE3-CB 4.24Å; W49-R53 HydrophobicContact CZ3-CB 4.43Å; W49-R53 VanDerWaalsContact O-CB 3.3Å; W49-R53 WeakPolarHBondContact O-CB 3.43Å; W49-R53 PolarHBondContact O-N 3.32Å; L51-R53 VanDerWaalsContact C-N 3.33Å; R53-T55 VanDerWaalsContact C-N 3.28Å; R53-T55 PolarHBondContact O-N 3.48Å; R53-E56 WeakPolarHBondContact CD-OE2 3.37Å; R53-E56 IonicContact CZ-OE2 3.11Å; R53-E56 IonicContact NH1-OE2 2.66Å; R53-E56 PolarHBondContact NH1-OE2 3.1Å; R53-E56 PolarHBondContact O-N 3.49Å; R53-L57 HydrophobicContact CG-CD1 4.49Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 2.85Å; R53-F327 HydrophobicContact CB-CE2 4.01Å; R53-F327 HydrophobicContact CB-CZ 3.95Å; R53-F327 HydrophobicContact CG-CE2 4.08Å; R53-F327 HydrophobicContact CG-CZ 3.87Å; R53-D331 WeakPolarHBondContact CG-OD1 3.46Å; R53-D331 IonicContact CZ-OD1 3.47Å; R53-D331 IonicContact NE-OD1 3.91Å; R53-D331 PolarHBondContact NE-OD1 2.9Å; R53-D331 IonicContact NH2-OD1 3.38Å; R53-D331 PolarHBondContact NH2-OD1 3.11Å
54	L	97	Very high	93.7	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-34.9	173	-74.5	170.4	0	0	0	112.1	R50 L51 E52 L57 V58 F286 V293 F327 L330 V359	R50-L54 WeakPolarHBondContact O-CB 3.4Å; R50-L54 WeakPolarHBondContact O-CG 3.31Å; R50-L54 PolarHBondContact O-N 3.36Å; L51-L54 PolarHBondContact O-N 3.16Å; E52-L54 VanDerWaalsContact C-N 3.35Å; E52-L54 PolarHBondContact O-N 2.81Å; L54-L57 PolarHBondContact O-N 3.22Å; L54-V58 WeakPolarHBondContact O-CB 3.19Å; L54-V58 WeakPolarHBondContact O-CG2 3.49Å; L54-V58 PolarHBondContact O-N 3.4Å; L54-F286 HydrophobicContact CD1-CB 3.62Å; L54-F286 HydrophobicContact CD1-CD1 3.9Å; L54-F286 HydrophobicContact CD1-CD2 3.73Å; L54-F286 HydrophobicContact CD1-CE2 4.36Å; L54-F286 HydrophobicContact CD1-CG 3.46Å; L54-F286 VanDerWaalsContact CD1-CG 3.46Å; L54-V293 HydrophobicContact CB-CG1 3.76Å; L54-V293 HydrophobicContact CD1-CG1 4.42Å; L54-F327 HydrophobicContact CD1-CD2 4.14Å; L54-F327 HydrophobicContact CD2-CD2 4.18Å; L54-F327 HydrophobicContact CD2-CE2 4.45Å; L54-F327 HydrophobicContact CG-CD2 3.91Å; L54-F327 HydrophobicContact CG-CE2 4.01Å; L54-L330 HydrophobicContact CD2-CD2 3.62Å; L54-L330 HydrophobicContact CD2-CG 4.42Å; L54-V359 HydrophobicContact CD1-CG2 4.06Å; L54-V359 HydrophobicContact CD2-CG2 4.15Å
55	T	96.3	Very high	94.1	Very high	37 Å²	37	61.1 Å²	61.1	23%	0.227	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-43.8	175.3	-59.6	0	0	0	0	110.8	L51 E52 R53 L57 H59 P60 T63	L51-T55 WeakPolarHBondContact O-CB 3.43Å; L51-T55 PolarHBondContact O-N 3.04Å; L51-T55 PolarHBondContact O-OG1 2.92Å; E52-T55 CarbonylContact O-C 3.56Å; E52-T55 WeakPolarHBondContact O-CA 3.41Å; E52-T55 WeakPolarHBondContact O-CB 3.31Å; E52-T55 PolarHBondContact O-N 3.44Å; R53-T55 VanDerWaalsContact C-N 3.28Å; R53-T55 PolarHBondContact O-N 3.48Å; T55-L57 PolarHBondContact O-N 3Å; T55-H59 WeakPolarHBondContact O-CA 3.35Å; T55-H59 PolarHBondContact O-N 3.38Å; T55-P60 HydrophobicContact CG2-CG 3.98Å; T55-P60 VanDerWaalsContact O-CD 3.27Å; T55-P60 WeakPolarHBondContact O-CD 3.44Å; T55-T63 WeakPolarHBondContact CG2-OG1 3.32Å; T55-T63 VanDerWaalsContact OG1-CG2 3.23Å; T55-T63 WeakPolarHBondContact OG1-CG2 3.26Å; T55-T63 PolarHBondContact OG1-OG1 3.18Å
56	E	95.1	Very high	94.2	Very high	110 Å²	110	59.3 Å²	59.3	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-39.2	173.8	-65.4	178.6	168.4	0	0	112.8	E52 R53 H59	E52-E56 PolarHBondContact O-N 3.16Å; R53-E56 WeakPolarHBondContact CD-OE2 3.37Å; R53-E56 IonicContact CZ-OE2 3.11Å; R53-E56 IonicContact NH1-OE2 2.66Å; R53-E56 PolarHBondContact NH1-OE2 3.1Å; R53-E56 PolarHBondContact O-N 3.49Å; E56-H59 PolarHBondContact O-CE1 3.43Å; E56-H59 PolarHBondContact O-ND1 2.88Å; E56-H59 VanDerWaalsContact O-ND1 3.13Å; E56-H59 PolarHBondContact O-NE2 2.93Å
57	L	93.7	Very high	94.1	Very high	46 Å²	46	60.6 Å²	60.6	24%	0.241	29%	0.289	C	S	.	.	H	α-helix	trans	-71.4	-40.7	-179.4	-70.1	173.1	0	0	0	111.8	R53 L54 T55	R53-L57 HydrophobicContact CG-CD1 4.49Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 2.85Å; L54-L57 PolarHBondContact O-N 3.22Å; T55-L57 PolarHBondContact O-N 3Å
58	V	93.4	Very high	93.9	Very high	43 Å²	43	59.3 Å²	59.3	26%	0.261	28%	0.28	S	S	.	.	H	α-helix	trans	-94.1	-26.4	-170.8	176.7	0	0	0	0	113.1	L54 P60 A288 G289 V293	L54-V58 WeakPolarHBondContact O-CB 3.19Å; L54-V58 WeakPolarHBondContact O-CG2 3.49Å; L54-V58 PolarHBondContact O-N 3.4Å; V58-P60 HydrophobicContact CG1-CB 4.46Å; V58-A288 HydrophobicContact CG2-CB 4.17Å; V58-G289 WeakPolarHBondContact CG1-O 3.46Å; V58-V293 HydrophobicContact CB-CG2 3.87Å; V58-V293 HydrophobicContact CG1-CG2 3.99Å; V58-V293 HydrophobicContact CG2-CG2 4.24Å
59	H	93.8	Very high	93.6	Very high	153 Å²	153	60.2 Å²	60.2	71%	0.708	28%	0.283	S	S	*	.			trans	50.6	55.3	-171.6	-55.7	80.8	0	0	0	112.5	T55 E56	T55-H59 WeakPolarHBondContact O-CA 3.35Å; T55-H59 PolarHBondContact O-N 3.38Å; E56-H59 PolarHBondContact O-CE1 3.43Å; E56-H59 PolarHBondContact O-ND1 2.88Å; E56-H59 VanDerWaalsContact O-ND1 3.13Å; E56-H59 PolarHBondContact O-NE2 2.93Å
60	P	95.9	Very high	93.4	Very high	20 Å²	20	53.4 Å²	53.4	13%	0.13	26%	0.258	C	S	.	.			trans	-69.2	161.4	-177.4	34.3	-38.7	0	0	0	111.7	T55 V58 K62 E290 V293	T55-P60 HydrophobicContact CG2-CG 3.98Å; T55-P60 VanDerWaalsContact O-CD 3.27Å; T55-P60 WeakPolarHBondContact O-CD 3.44Å; V58-P60 HydrophobicContact CG1-CB 4.46Å; P60-K62 WeakPolarHBondContact CB-O 3.23Å; P60-K62 PolarHBondContact O-N 2.91Å; P60-E290 WeakPolarHBondContact CA-O 3.33Å; P60-V293 HydrophobicContact CB-CB 4.41Å; P60-V293 HydrophobicContact CB-CG2 3.9Å; P60-V293 HydrophobicContact CG-CB 3.99Å; P60-V293 HydrophobicContact CG-CG2 3.62Å
61	K	96.6	Very high	92.8	Very high	161 Å²	161	52.6 Å²	52.6	70%	0.7	26%	0.256	S	S	*	.	S	Bend	trans	-68.8	-21.6	169.2	-63.1	-179.1	-174.7	169.4	0	113.4	E290 Q291	K61-E290 PolarHBondContact N-O 3.26Å; K61-Q291 WeakPolarHBondContact CB-O 3.18Å
62	K	95.2	Very high	92.3	Very high	124 Å²	124	53 Å²	53	54%	0.539	26%	0.259	S	S	.	.			trans	-149.4	137.7	-177	-167.6	-179.1	-175	-169.1	0	110.7	P60 V64 Q291 E292 V293	P60-K62 WeakPolarHBondContact CB-O 3.23Å; P60-K62 PolarHBondContact O-N 2.91Å; K62-V64 HydrophobicContact CD-CG2 3.8Å; K62-V64 HydrophobicContact CG-CG2 3.93Å; K62-Q291 PolarHBondContact N-O 3.33Å; K62-E292 HydrophobicContact CB-CB 4.31Å; K62-E292 CarbonylContact O-C 3.58Å; K62-E292 WeakPolarHBondContact O-CA 3.48Å; K62-V293 PolarHBondContact O-N 2.92Å
63	T	95.6	Very high	91.7	Very high	52 Å²	52	47.1 Å²	47.1	32%	0.319	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.5	167.3	-62.6	0	0	0	0	108.5	L51 T55 V293	L51-T63 HydrophobicContact CD1-CG2 3.94Å; L51-T63 HydrophobicContact CD2-CG2 3.75Å; L51-T63 HydrophobicContact CG-CG2 3.61Å; T55-T63 WeakPolarHBondContact CG2-OG1 3.32Å; T55-T63 VanDerWaalsContact OG1-CG2 3.23Å; T55-T63 WeakPolarHBondContact OG1-CG2 3.26Å; T55-T63 PolarHBondContact OG1-OG1 3.18Å; T63-V293 CarbonylContact C-O 3.58Å; T63-V293 VanDerWaalsContact CA-O 3.32Å; T63-V293 WeakPolarHBondContact CA-O 3.33Å
64	V	94.2	Very high	90.5	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	107.2	-178.1	-173.6	0	0	0	0	109.3	K62 V293 R294 A295	K62-V64 HydrophobicContact CD-CG2 3.8Å; K62-V64 HydrophobicContact CG-CG2 3.93Å; V64-V293 PolarHBondContact N-O 3.45Å; V64-R294 HydrophobicContact CB-CB 4.07Å; V64-R294 HydrophobicContact CB-CG 3.86Å; V64-R294 HydrophobicContact CG1-CG 4.16Å; V64-R294 VanDerWaalsContact CG1-NE 3.3Å; V64-R294 WeakPolarHBondContact O-CA 3.25Å; V64-A295 PolarHBondContact O-N 2.92Å
65	P	92.7	Very high	89	Confident	24 Å²	24	47 Å²	47	16%	0.156	25%	0.251	C	S	.	.			trans	-73.5	170.4	175.9	30	-30.9	0	0	0	111.1	E45 L51	E45-P65 HydrophobicContact CB-CB 4.35Å; E45-P65 HydrophobicContact CB-CG 4.15Å; E45-P65 HydrophobicContact CG-CG 4.1Å; E45-P65 VanDerWaalsContact OE1-CG 3.27Å; E45-P65 WeakPolarHBondContact OE1-CG 3.39Å; E45-P65 WeakPolarHBondContact OE2-CG 3.42Å; L51-P65 VanDerWaalsContact CD2-CA 3.44Å; L51-P65 HydrophobicContact CD2-CB 3.67Å
66	T	90.9	Very high	87.2	Confident	12 Å²	12	45.4 Å²	45.4	7%	0.074	24%	0.241	C	C	.	.			trans	-91	150.3	170.2	-166.2	0	0	0	0	109.6	E45 V46 Y277 A295 T297	E45-T66 WeakPolarHBondContact CA-O 3.16Å; V46-T66 HydrophobicContact CB-CG2 3.66Å; V46-T66 HydrophobicContact CG1-CG2 4.42Å; V46-T66 HydrophobicContact CG2-CG2 3.8Å; V46-T66 PolarHBondContact N-O 2.62Å; T66-Y277 HydrophobicContact CG2-CE2 4.29Å; T66-A295 HydrophobicContact CG2-CB 4.45Å; T66-T297 PolarHBondContact OG1-OG1 2.8Å
67	T	87.7	Confident	85	Confident	35 Å²	35	44.6 Å²	44.6	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.6	178	66.1	0	0	0	0	111.5	A29 Y32 M43 V44 E45	A29-T67 HydrophobicContact CB-CG2 4.26Å; Y32-T67 HydrophobicContact CE1-CG2 4.19Å; Y32-T67 HydrophobicContact CE2-CG2 4.18Å; M43-T67 HydrophobicContact CG-CG2 4.33Å; M43-T67 HydrophobicContact SD-CG2 4.26Å; M43-T67 PolarHBondContact SD-OG1 2.95Å; V44-T67 CarbonylContact O-C 3.41Å; V44-T67 WeakPolarHBondContact O-CA 3.35Å; V44-T67 VanDerWaalsContact O-CB 3.32Å; V44-T67 WeakPolarHBondContact O-CB 3.25Å; E45-T67 HydrophobicContact CG-CG2 4.13Å
68	F	85.2	Confident	82.7	Confident	10 Å²	10	46.8 Å²	46.8	4%	0.044	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	160.7	172.9	129.6	-96.2	0	0	0	110.7	A5 M43 V44 V46 F70 I273 A276 Y277 L280	A5-F68 HydrophobicContact CB-CE2 3.8Å; A5-F68 HydrophobicContact CB-CZ 3.59Å; M43-F68 WeakPolarHBondContact CA-O 3.46Å; V44-F68 HydrophobicContact CG2-CD1 4Å; V44-F68 HydrophobicContact CG2-CE1 4.42Å; V44-F68 PolarHBondContact N-O 3.31Å; V44-F68 PolarHBondContact O-N 3.38Å; V46-F68 HydrophobicContact CG2-CB 4.33Å; F68-F70 HydrophobicContact CD1-CD2 4.34Å; F68-F70 HydrophobicContact CD1-CE2 4.01Å; F68-F70 HydrophobicContact CE1-CD1 4.42Å; F68-F70 AromaticContact CE1-CD2 3.59Å; F68-F70 HydrophobicContact CE1-CD2 3.59Å; F68-F70 HydrophobicContact CE1-CE1 4Å; F68-F70 AromaticContact CE1-CE2 3.09Å; F68-F70 HydrophobicContact CE1-CE2 3.09Å; F68-F70 HydrophobicContact CE1-CG 4.24Å; F68-F70 AromaticContact CE1-CZ 3.33Å; F68-F70 HydrophobicContact CE1-CZ 3.33Å; F68-F70 AromaticContact CZ-CD1 3.96Å; F68-F70 HydrophobicContact CZ-CD1 3.96Å; F68-F70 AromaticContact CZ-CD2 3.86Å; F68-F70 HydrophobicContact CZ-CD2 3.86Å; F68-F70 AromaticContact CZ-CE1 3.71Å; F68-F70 HydrophobicContact CZ-CE1 3.71Å; F68-F70 AromaticContact CZ-CE2 3.62Å; F68-F70 HydrophobicContact CZ-CE2 3.62Å; F68-F70 HydrophobicContact CZ-CG 4.04Å; F68-F70 AromaticContact CZ-CZ 3.55Å; F68-F70 HydrophobicContact CZ-CZ 3.55Å; F68-I273 HydrophobicContact CD1-CG2 4.47Å; F68-A276 HydrophobicContact CE1-CB 4.2Å; F68-A276 HydrophobicContact CZ-CB 4.11Å; F68-Y277 HydrophobicContact CB-CD2 4.17Å; F68-L280 HydrophobicContact CD2-CD1 3.8Å; F68-L280 HydrophobicContact CE2-CD1 3.43Å; F68-L280 VanDerWaalsContact CE2-CD1 3.43Å; F68-L280 HydrophobicContact CZ-CD1 4.17Å
69	E	85.4	Confident	80.6	Confident	36 Å²	36	46.1 Å²	46.1	17%	0.168	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.1	-168.9	-173.8	178.8	110.9	0	0	112.4	T4 A5 T36 V41 G42	T4-E69 WeakPolarHBondContact CA-O 3.34Å; T4-E69 HydrophobicContact CG2-CB 4.03Å; T4-E69 HydrophobicContact CG2-CG 4.2Å; T4-E69 WeakPolarHBondContact CG2-OE1 3.4Å; A5-E69 PolarHBondContact N-O 2.83Å; A5-E69 VanDerWaalsContact N-O 3.16Å; T36-E69 PolarHBondContact OG1-OE2 3.21Å; V41-E69 HydrophobicContact CG1-CG 3.21Å; V41-E69 WeakPolarHBondContact CG1-OE1 3.4Å; V41-E69 WeakPolarHBondContact CG1-OE2 3.28Å; G42-E69 WeakPolarHBondContact O-CA 3.26Å
70	F	88.1	Confident	78.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	142	165.8	-80	-79.2	0	0	0	111.1	A5 I7 F19 I22 V41 G42 V44 F68 L272 I273 A276	A5-F70 HydrophobicContact CB-CD1 3.93Å; A5-F70 HydrophobicContact CB-CE1 3.89Å; A5-F70 CarbonylContact O-C 3.56Å; A5-F70 WeakPolarHBondContact O-CA 3.32Å; I7-F70 HydrophobicContact CD1-CD1 4.02Å; I7-F70 HydrophobicContact CD1-CG 4.47Å; I7-F70 HydrophobicContact CG1-CD1 3.86Å; I7-F70 HydrophobicContact CG1-CE1 4.47Å; F19-F70 HydrophobicContact CE2-CB 4.4Å; I22-F70 HydrophobicContact CD1-CD1 4.48Å; I22-F70 HydrophobicContact CD1-CD2 4.25Å; I22-F70 HydrophobicContact CD1-CE2 4.32Å; I22-F70 HydrophobicContact CD1-CG 4.31Å; I22-F70 HydrophobicContact CD1-CZ 4.49Å; I22-F70 HydrophobicContact CG2-CB 4.22Å; I22-F70 HydrophobicContact CG2-CD2 3.69Å; I22-F70 HydrophobicContact CG2-CE2 4.35Å; I22-F70 HydrophobicContact CG2-CG 4.18Å; V41-F70 CarbonylContact C-O 3.58Å; V41-F70 WeakPolarHBondContact CA-O 3.34Å; G42-F70 PolarHBondContact N-O 3.49Å; G42-F70 PolarHBondContact O-N 2.92Å; V44-F70 HydrophobicContact CG2-CD2 3.8Å; V44-F70 HydrophobicContact CG2-CE2 3.84Å; F68-F70 HydrophobicContact CD1-CD2 4.34Å; F68-F70 HydrophobicContact CD1-CE2 4.01Å; F68-F70 HydrophobicContact CE1-CD1 4.42Å; F68-F70 AromaticContact CE1-CD2 3.59Å; F68-F70 HydrophobicContact CE1-CD2 3.59Å; F68-F70 HydrophobicContact CE1-CE1 4Å; F68-F70 AromaticContact CE1-CE2 3.09Å; F68-F70 HydrophobicContact CE1-CE2 3.09Å; F68-F70 HydrophobicContact CE1-CG 4.24Å; F68-F70 AromaticContact CE1-CZ 3.33Å; F68-F70 HydrophobicContact CE1-CZ 3.33Å; F68-F70 AromaticContact CZ-CD1 3.96Å; F68-F70 HydrophobicContact CZ-CD1 3.96Å; F68-F70 AromaticContact CZ-CD2 3.86Å; F68-F70 HydrophobicContact CZ-CD2 3.86Å; F68-F70 AromaticContact CZ-CE1 3.71Å; F68-F70 HydrophobicContact CZ-CE1 3.71Å; F68-F70 AromaticContact CZ-CE2 3.62Å; F68-F70 HydrophobicContact CZ-CE2 3.62Å; F68-F70 HydrophobicContact CZ-CG 4.04Å; F68-F70 AromaticContact CZ-CZ 3.55Å; F68-F70 HydrophobicContact CZ-CZ 3.55Å; F70-L272 HydrophobicContact CZ-CG 4.37Å; F70-I273 HydrophobicContact CE2-CG1 4.03Å; F70-A276 HydrophobicContact CE1-CB 4.17Å; F70-A276 HydrophobicContact CZ-CB 3.89Å
71	T	86.2	Confident	75.8	Confident	17 Å²	17	41.8 Å²	41.8	10%	0.104	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.1	172.2	-49.9	0	0	0	0	109.9	A5 G6 I7 N40 V41 I73	A5-T71 PolarHBondContact O-N 3.43Å; G6-T71 CarbonylContact C-O 3.5Å; G6-T71 VanDerWaalsContact CA-O 3.3Å; G6-T71 WeakPolarHBondContact CA-O 3.25Å; I7-T71 PolarHBondContact N-O 3.23Å; N40-T71 CarbonylContact O-C 3.57Å; N40-T71 VanDerWaalsContact O-CA 3.23Å; N40-T71 WeakPolarHBondContact O-CA 3.48Å; V41-T71 HydrophobicContact CG2-CG2 4.14Å; T71-I73 HydrophobicContact CG2-CD1 4.01Å; T71-I73 PolarHBondContact O-N 2.99Å
72	D	85.5	Confident	73.5	Confident	22 Å²	22	43.1 Å²	43.1	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	118.1	167.8	-170.3	31.8	0	0	0	110.1	K15 F19 N40	K15-D72 IonicContact NZ-OD1 2.76Å; K15-D72 PolarHBondContact NZ-OD1 3.2Å; K15-D72 IonicContact NZ-OD2 2.79Å; K15-D72 PolarHBondContact NZ-OD2 3.16Å; F19-D72 HydrophobicContact CD1-CB 4.04Å; F19-D72 HydrophobicContact CD2-CB 3.75Å; F19-D72 HydrophobicContact CE1-CB 4Å; F19-D72 HydrophobicContact CE2-CB 3.72Å; F19-D72 HydrophobicContact CG-CB 3.91Å; F19-D72 HydrophobicContact CZ-CB 3.85Å; N40-D72 HydrophobicContact CB-CB 4.16Å; N40-D72 PolarHBondContact O-N 3.48Å
73	I	81.8	Confident	71.3	Confident	0 Å²	0	40 Å²	40	0%	0	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-95.3	124.8	176	-49	-64.7	0	0	0	107.8	I7 V8 K15 T71 G75 F90 H93 I94 V97	I7-I73 WeakPolarHBondContact O-CB 3.42Å; I7-I73 WeakPolarHBondContact O-CG1 3.37Å; I7-I73 PolarHBondContact O-N 3.42Å; V8-I73 HydrophobicContact CG1-CB 3.89Å; V8-I73 HydrophobicContact CG1-CG1 3.89Å; V8-I73 HydrophobicContact CG1-CG2 4.17Å; K15-I73 WeakPolarHBondContact CE-O 3.39Å; K15-I73 PolarHBondContact NZ-O 3.04Å; K15-I73 VanDerWaalsContact NZ-O 3.1Å; T71-I73 HydrophobicContact CG2-CD1 4.01Å; T71-I73 PolarHBondContact O-N 2.99Å; I73-G75 PolarHBondContact O-N 3Å; I73-F90 HydrophobicContact CG2-CD2 3.66Å; I73-F90 HydrophobicContact CG2-CE2 3.92Å; I73-H93 HydrophobicContact CD1-CB 3.61Å; I73-H93 HydrophobicContact CG2-CB 3.89Å; I73-I94 HydrophobicContact CG2-CG1 4.03Å; I73-V97 HydrophobicContact CD1-CG1 4.06Å
74	A	69.2	Low	69	Low	48 Å²	48	45 Å²	45	40%	0.397	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-52.5	133.2	176.3	0	0	0	0	0	110.5	F90	A74-F90 VanDerWaalsContact O-CD2 3.3Å; A74-F90 WeakPolarHBondContact O-CD2 3.15Å
75	G	65.6	Low	67	Low	31 Å²	31	46.2 Å²	46.2	32%	0.32	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-62.8	147.3	-177.4	0	0	0	0	0	112.7	I73	I73-G75 PolarHBondContact O-N 3Å
76	I	58.4	Low	65.2	Low	5 Å²	5	49.1 Å²	49.1	3%	0.026	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-72	133.3	168.3	-66.3	171.6	0	0	0	108.8	P11 A80 F90 I128 E131	P11-I76 WeakPolarHBondContact CD-O 3.32Å; I76-A80 HydrophobicContact CG2-CB 4.32Å; I76-F90 HydrophobicContact CD1-CD1 3.42Å; I76-F90 VanDerWaalsContact CD1-CD1 3.42Å; I76-F90 HydrophobicContact CD1-CD2 4.21Å; I76-F90 HydrophobicContact CD1-CE1 3.08Å; I76-F90 HydrophobicContact CD1-CE2 3.92Å; I76-F90 HydrophobicContact CD1-CG 3.97Å; I76-F90 HydrophobicContact CD1-CZ 3.32Å; I76-F90 HydrophobicContact CG1-CB 4.14Å; I76-F90 HydrophobicContact CG1-CD1 3.44Å; I76-F90 VanDerWaalsContact CG1-CD1 3.44Å; I76-F90 HydrophobicContact CG1-CD2 3.59Å; I76-F90 HydrophobicContact CG1-CE1 3.57Å; I76-F90 HydrophobicContact CG1-CE2 3.69Å; I76-F90 HydrophobicContact CG1-CG 3.43Å; I76-F90 VanDerWaalsContact CG1-CG 3.43Å; I76-F90 HydrophobicContact CG1-CZ 3.66Å; I76-I128 HydrophobicContact CD1-CG1 4.04Å; I76-E131 HydrophobicContact CD1-CB 4.19Å; I76-E131 HydrophobicContact CD1-CG 4.25Å
77	V	50	Low	64	Low	93 Å²	93	48.8 Å²	48.8	56%	0.564	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-94.5	125.9	153.8	-172.7	0	0	0	0	107.1	A80	V77-A80 PolarHBondContact O-N 3.39Å
78	K	46.3	Very low	63.2	Low	92 Å²	92	52.7 Å²	52.7	40%	0.4	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	140.5	-179.9	-116.9	175.1	175.9	165.2	0	110.9	E116 T127	K78-E116 WeakPolarHBondContact CD-OE1 3.3Å; K78-E116 IonicContact NZ-OE1 3.11Å; K78-E116 PolarHBondContact NZ-OE1 2.77Å; K78-T127 HydrophobicContact CD-CG2 4.29Å; K78-T127 WeakPolarHBondContact CE-OG1 3.41Å; K78-T127 HydrophobicContact CG-CG2 3.9Å
79	G	47.7	Very low	62.4	Low	29 Å²	29	57.5 Å²	57.5	30%	0.299	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	6.8	-177	0	0	0	0	0	114.6	S81 K82	G79-S81 PolarHBondContact O-N 3.48Å; G79-K82 VanDerWaalsContact O-CB 3.29Å; G79-K82 WeakPolarHBondContact O-CB 3.46Å; G79-K82 PolarHBondContact O-N 3.38Å
80	A	46.8	Very low	62.2	Low	9 Å²	9	56 Å²	56	7%	0.074	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-59.3	-31.4	176.4	0	0	0	0	0	113.1	I76 V77 K82 G83	I76-A80 HydrophobicContact CG2-CB 4.32Å; V77-A80 PolarHBondContact O-N 3.39Å; A80-K82 PolarHBondContact O-N 3.39Å; A80-G83 PolarHBondContact O-N 2.75Å; A80-G83 VanDerWaalsContact O-N 3.08Å
81	S	43.1	Very low	62	Low	73 Å²	73	57 Å²	57	51%	0.51	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-60.6	-19.6	169.7	42.2	0	0	0	0	114.2	G79 G83 E131	G79-S81 PolarHBondContact O-N 3.48Å; S81-G83 PolarHBondContact O-N 3.31Å; S81-E131 WeakPolarHBondContact CB-OE1 3.39Å; S81-E131 WeakPolarHBondContact CB-OE2 3.13Å; S81-E131 PolarHBondContact OG-OE1 3.3Å
82	K	48.8	Very low	61.9	Low	188 Å²	188	58.5 Å²	58.5	82%	0.817	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-77.6	5.1	172.6	-65.2	-175.7	178.3	173.3	0	113.9	G79 A80	G79-K82 VanDerWaalsContact O-CB 3.29Å; G79-K82 WeakPolarHBondContact O-CB 3.46Å; G79-K82 PolarHBondContact O-N 3.38Å; A80-K82 PolarHBondContact O-N 3.39Å
83	G	48.6	Very low	61.9	Low	60 Å²	60	60 Å²	60	62%	0.619	35%	0.354	S	S	*	.	S	Bend	trans	94.5	18.2	166.3	0	0	0	0	0	115.4	A80 S81 G85	A80-G83 PolarHBondContact O-N 2.75Å; A80-G83 VanDerWaalsContact O-N 3.08Å; S81-G83 PolarHBondContact O-N 3.31Å; G83-G85 PolarHBondContact O-N 3.13Å
84	E	46.8	Very low	62.3	Low	156 Å²	156	60 Å²	60	73%	0.729	35%	0.354	S	S	*	.			trans	-73.8	14.1	176.9	-65.3	-159.8	160.6	0	0	114.2	L86	E84-L86 PolarHBondContact O-N 3.47Å
85	G	52.1	Low	63.3	Low	31 Å²	31	62.8 Å²	62.8	32%	0.32	35%	0.354	S	S	.	.	S	Bend	trans	76.3	-31.7	175.1	0	0	0	0	0	114.8	G83 G87 N88 Q89	G83-G85 PolarHBondContact O-N 3.13Å; G85-G87 VanDerWaalsContact C-N 3.32Å; G85-G87 PolarHBondContact O-N 3.48Å; G85-N88 PolarHBondContact O-N 3.26Å; G85-Q89 PolarHBondContact O-N 3.14Å
86	L	54.2	Low	64.3	Low	85 Å²	85	68 Å²	68	45%	0.445	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-40.1	178	-77.8	151.6	0	0	0	112.6	E84 N88 Q89 F90	E84-L86 PolarHBondContact O-N 3.47Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 3.43Å; L86-Q89 PolarHBondContact O-N 3.32Å; L86-F90 PolarHBondContact O-N 3.34Å
87	G	66.4	Low	65.9	Low	5 Å²	5	67.8 Å²	67.8	5%	0.052	37%	0.369	C	S	.	.	H	α-helix	trans	-65.8	-37.5	179.5	0	0	0	0	0	112	G85 Q89 F90 L91	G85-G87 VanDerWaalsContact C-N 3.32Å; G85-G87 PolarHBondContact O-N 3.48Å; G87-Q89 VanDerWaalsContact C-N 3.32Å; G87-Q89 PolarHBondContact O-N 3.37Å; G87-F90 PolarHBondContact O-N 2.85Å; G87-L91 WeakPolarHBondContact O-CB 3.27Å; G87-L91 WeakPolarHBondContact O-CG 3.49Å; G87-L91 PolarHBondContact O-N 3.01Å
88	N	70.6	Confident	67.9	Low	116 Å²	116	66.7 Å²	66.7	62%	0.62	36%	0.36	S	S	*	.	H	α-helix	trans	-67.4	-34.7	176	-71.2	-28.3	0	0	0	111.8	G85 L86 S92	G85-N88 PolarHBondContact O-N 3.26Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 3.43Å; N88-S92 WeakPolarHBondContact O-CB 3.3Å; N88-S92 PolarHBondContact O-N 3.26Å; N88-S92 PolarHBondContact O-OG 2.63Å
89	Q	69.9	Low	70.2	Confident	111 Å²	111	62.3 Å²	62.3	52%	0.519	34%	0.341	S	S	.	.	H	α-helix	trans	-66.3	-50	175	-69.8	-177.8	-0.5	0	0	111	G85 L86 G87 L91 S92 H93	G85-Q89 PolarHBondContact O-N 3.14Å; L86-Q89 PolarHBondContact O-N 3.32Å; G87-Q89 VanDerWaalsContact C-N 3.32Å; G87-Q89 PolarHBondContact O-N 3.37Å; Q89-L91 PolarHBondContact O-N 3.21Å; Q89-S92 WeakPolarHBondContact CA-OG 3.44Å; Q89-S92 PolarHBondContact O-N 2.84Å; Q89-S92 VanDerWaalsContact O-N 3.07Å; Q89-S92 PolarHBondContact O-OG 2.94Å; Q89-H93 PolarHBondContact O-CD2 3.26Å; Q89-H93 VanDerWaalsContact O-CD2 3.32Å; Q89-H93 PolarHBondContact O-N 3.38Å
90	F	80.6	Confident	72.5	Confident	4 Å²	4	61 Å²	61	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-51.2	-54.6	173.6	171.4	-103.7	0	0	0	112	V8 I73 A74 I76 L86 G87 S92 H93 I94 I128 L132	V8-F90 HydrophobicContact CB-CE2 4.29Å; V8-F90 HydrophobicContact CG1-CE2 4.13Å; V8-F90 HydrophobicContact CG1-CZ 4.49Å; I73-F90 HydrophobicContact CG2-CD2 3.66Å; I73-F90 HydrophobicContact CG2-CE2 3.92Å; A74-F90 VanDerWaalsContact O-CD2 3.3Å; A74-F90 WeakPolarHBondContact O-CD2 3.15Å; I76-F90 HydrophobicContact CD1-CD1 3.42Å; I76-F90 VanDerWaalsContact CD1-CD1 3.42Å; I76-F90 HydrophobicContact CD1-CD2 4.21Å; I76-F90 HydrophobicContact CD1-CE1 3.08Å; I76-F90 HydrophobicContact CD1-CE2 3.92Å; I76-F90 HydrophobicContact CD1-CG 3.97Å; I76-F90 HydrophobicContact CD1-CZ 3.32Å; I76-F90 HydrophobicContact CG1-CB 4.14Å; I76-F90 HydrophobicContact CG1-CD1 3.44Å; I76-F90 VanDerWaalsContact CG1-CD1 3.44Å; I76-F90 HydrophobicContact CG1-CD2 3.59Å; I76-F90 HydrophobicContact CG1-CE1 3.57Å; I76-F90 HydrophobicContact CG1-CE2 3.69Å; I76-F90 HydrophobicContact CG1-CG 3.43Å; I76-F90 VanDerWaalsContact CG1-CG 3.43Å; I76-F90 HydrophobicContact CG1-CZ 3.66Å; L86-F90 PolarHBondContact O-N 3.34Å; G87-F90 PolarHBondContact O-N 2.85Å; F90-S92 VanDerWaalsContact C-N 3.27Å; F90-S92 PolarHBondContact O-N 3.02Å; F90-H93 PolarHBondContact O-N 3.23Å; F90-I94 HydrophobicContact CD1-CD1 4.09Å; F90-I94 HydrophobicContact CD2-CD1 4.2Å; F90-I94 HydrophobicContact CE1-CD1 3.37Å; F90-I94 HydrophobicContact CE1-CG1 4.48Å; F90-I94 HydrophobicContact CE2-CD1 3.55Å; F90-I94 HydrophobicContact CE2-CG1 4.27Å; F90-I94 HydrophobicContact CG-CD1 4.47Å; F90-I94 HydrophobicContact CZ-CD1 3.1Å; F90-I94 HydrophobicContact CZ-CG1 4.23Å; F90-I94 PolarHBondContact O-N 3.43Å; F90-I128 HydrophobicContact CZ-CG2 4.12Å; F90-L132 HydrophobicContact CE1-CD2 3.92Å
91	L	84.5	Confident	74.8	Confident	21 Å²	21	60.6 Å²	60.6	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-35.8	179.3	-65.1	169.9	0	0	0	111.7	G87 Q89 I94 R95 L132 A135 L197	G87-L91 WeakPolarHBondContact O-CB 3.27Å; G87-L91 WeakPolarHBondContact O-CG 3.49Å; G87-L91 PolarHBondContact O-N 3.01Å; Q89-L91 PolarHBondContact O-N 3.21Å; L91-I94 PolarHBondContact O-N 3.32Å; L91-R95 WeakPolarHBondContact O-CG 3.27Å; L91-R95 PolarHBondContact O-N 3.4Å; L91-L132 HydrophobicContact CD2-CD2 3.85Å; L91-A135 HydrophobicContact CD1-CB 3.72Å; L91-A135 HydrophobicContact CD2-CB 3.85Å; L91-A135 HydrophobicContact CG-CB 4.39Å; L91-L197 HydrophobicContact CB-CD1 4.47Å; L91-L197 HydrophobicContact CD2-CD1 3.52Å
92	S	84	Confident	77.4	Confident	49 Å²	49	57.3 Å²	57.3	34%	0.343	30%	0.3	S	S	.	.	H	α-helix	trans	-67.5	-37.3	178.2	75.8	0	0	0	0	112.7	N88 Q89 F90 R95 Q96	N88-S92 WeakPolarHBondContact O-CB 3.3Å; N88-S92 PolarHBondContact O-N 3.26Å; N88-S92 PolarHBondContact O-OG 2.63Å; Q89-S92 WeakPolarHBondContact CA-OG 3.44Å; Q89-S92 PolarHBondContact O-N 2.84Å; Q89-S92 VanDerWaalsContact O-N 3.07Å; Q89-S92 PolarHBondContact O-OG 2.94Å; F90-S92 VanDerWaalsContact C-N 3.27Å; F90-S92 PolarHBondContact O-N 3.02Å; S92-R95 WeakPolarHBondContact O-CB 3.35Å; S92-R95 PolarHBondContact O-N 3.24Å; S92-Q96 WeakPolarHBondContact O-CG 3.24Å
93	H	84.7	Confident	79.6	Confident	53 Å²	53	48.4 Å²	48.4	25%	0.245	26%	0.262	C	S	.	.	H	α-helix	trans	-71.7	-41.7	176.5	-68.1	-164.8	0	0	0	110.3	I73 Q89 F90 R95 Q96	I73-H93 HydrophobicContact CD1-CB 3.61Å; I73-H93 HydrophobicContact CG2-CB 3.89Å; Q89-H93 PolarHBondContact O-CD2 3.26Å; Q89-H93 VanDerWaalsContact O-CD2 3.32Å; Q89-H93 PolarHBondContact O-N 3.38Å; F90-H93 PolarHBondContact O-N 3.23Å; H93-R95 PolarHBondContact O-N 3.32Å; H93-Q96 WeakPolarHBondContact O-CB 3.49Å; H93-Q96 PolarHBondContact O-N 3.09Å
94	I	89.7	Confident	81.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-33.8	173.9	-67.3	-175.4	0	0	0	111.3	V8 I73 F90 L91 Q96 V97 I100 L132 L197 K200	V8-I94 HydrophobicContact CG1-CD1 3.84Å; V8-I94 HydrophobicContact CG1-CG1 4.08Å; I73-I94 HydrophobicContact CG2-CG1 4.03Å; F90-I94 HydrophobicContact CD1-CD1 4.09Å; F90-I94 HydrophobicContact CD2-CD1 4.2Å; F90-I94 HydrophobicContact CE1-CD1 3.37Å; F90-I94 HydrophobicContact CE1-CG1 4.48Å; F90-I94 HydrophobicContact CE2-CD1 3.55Å; F90-I94 HydrophobicContact CE2-CG1 4.27Å; F90-I94 HydrophobicContact CG-CD1 4.47Å; F90-I94 HydrophobicContact CZ-CD1 3.1Å; F90-I94 HydrophobicContact CZ-CG1 4.23Å; F90-I94 PolarHBondContact O-N 3.43Å; L91-I94 PolarHBondContact O-N 3.32Å; I94-Q96 PolarHBondContact O-N 2.93Å; I94-V97 WeakPolarHBondContact O-CG2 3.27Å; I94-V97 PolarHBondContact O-N 2.87Å; I94-I100 HydrophobicContact CG2-CD1 3.79Å; I94-I100 HydrophobicContact CG2-CG1 4.27Å; I94-L132 HydrophobicContact CD1-CD2 3.65Å; I94-L132 HydrophobicContact CG2-CD2 4.41Å; I94-L197 HydrophobicContact CG2-CD2 4.03Å; I94-K200 HydrophobicContact CG2-CD 4.45Å; I94-K200 PolarHBondContact O-NZ 3.21Å
95	R	89.9	Confident	84.3	Confident	107 Å²	107	38.3 Å²	38.3	40%	0.404	20%	0.198	S	C	.	.	H	α-helix	trans	-60.2	-28.4	174.9	-75.6	178.9	-168.2	-68.7	-3	113	L91 S92 H93 F195 L197 K200	L91-R95 WeakPolarHBondContact O-CG 3.27Å; L91-R95 PolarHBondContact O-N 3.4Å; S92-R95 WeakPolarHBondContact O-CB 3.35Å; S92-R95 PolarHBondContact O-N 3.24Å; H93-R95 PolarHBondContact O-N 3.32Å; R95-F195 PolarHBondContact NH1-O 3.32Å; R95-L197 HydrophobicContact CB-CD2 4.49Å; R95-L197 HydrophobicContact CG-CD2 3.47Å; R95-L197 VanDerWaalsContact CG-CD2 3.47Å; R95-K200 PolarHBondContact O-NZ 3.11Å
96	Q	87.4	Confident	86.4	Confident	140 Å²	140	36.9 Å²	36.9	65%	0.654	18%	0.183	S	C	*	.	H	α-helix	trans	-83.9	-17	-174.6	-65.1	174.2	-3	0	0	114.2	S92 H93 I94	S92-Q96 WeakPolarHBondContact O-CG 3.24Å; H93-Q96 WeakPolarHBondContact O-CB 3.49Å; H93-Q96 PolarHBondContact O-N 3.09Å; I94-Q96 PolarHBondContact O-N 2.93Å
97	V	91.4	Very high	88.3	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.166	C	C	.	.			trans	-97.3	156.2	179.8	-57	0	0	0	0	112.3	T4 I73 I94 A99 K200	T4-V97 WeakPolarHBondContact OG1-CA 3.43Å; I73-V97 HydrophobicContact CD1-CG1 4.06Å; I94-V97 WeakPolarHBondContact O-CG2 3.27Å; I94-V97 PolarHBondContact O-N 2.87Å; V97-A99 WeakPolarHBondContact CG2-O 3.35Å; V97-K200 PolarHBondContact O-NZ 2.81Å
98	D	93	Very high	89.5	Confident	71 Å²	71	38.1 Å²	38.1	38%	0.38	19%	0.188	S	C	.	.	S	Bend	trans	-95.6	-26.8	-179	-65.8	-77.3	0	0	0	113.1	L3 T4 P201 L280	L3-D98 WeakPolarHBondContact CA-OD2 3.33Å; L3-D98 HydrophobicContact CD2-CB 3.61Å; L3-D98 WeakPolarHBondContact CD2-OD2 3.46Å; T4-D98 PolarHBondContact N-OD2 3.24Å; T4-D98 PolarHBondContact O-N 3.47Å; D98-P201 WeakPolarHBondContact O-CD 3.16Å; D98-L280 HydrophobicContact CB-CD2 3.54Å
99	A	94.8	Very high	90.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	161.2	172.6	0	0	0	0	0	111.3	T4 A5 G6 V97 P201 L279 L280	T4-A99 PolarHBondContact O-N 3.07Å; A5-A99 WeakPolarHBondContact CA-O 3.37Å; A5-A99 HydrophobicContact CB-CB 4.29Å; G6-A99 PolarHBondContact N-O 3.11Å; V97-A99 WeakPolarHBondContact CG2-O 3.35Å; A99-P201 HydrophobicContact CB-CG 3.94Å; A99-L279 HydrophobicContact CB-CD2 4.08Å; A99-L279 HydrophobicContact CB-CG 4.47Å; A99-L280 HydrophobicContact CB-CD2 3.5Å; A99-L280 VanDerWaalsContact CB-CD2 3.5Å; A99-L280 HydrophobicContact CB-CG 4.02Å
100	I	95.3	Very high	90.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.1	179.3	-62.9	169.8	0	0	0	108.8	G6 V8 I94 H102 L132 K200 P201 V202 L203	G6-I100 CarbonylContact O-C 3.41Å; G6-I100 WeakPolarHBondContact O-CA 3.43Å; V8-I100 HydrophobicContact CB-CG2 4.33Å; V8-I100 HydrophobicContact CG1-CG2 4.01Å; V8-I100 HydrophobicContact CG2-CG2 3.35Å; I94-I100 HydrophobicContact CG2-CD1 3.79Å; I94-I100 HydrophobicContact CG2-CG1 4.27Å; I100-H102 HydrophobicContact CG2-CB 4.41Å; I100-L132 HydrophobicContact CD1-CD1 4.17Å; I100-K200 HydrophobicContact CD1-CB 4.2Å; I100-K200 HydrophobicContact CD1-CD 4.49Å; I100-K200 HydrophobicContact CG1-CB 4.48Å; I100-P201 PolarHBondContact N-O 3.01Å; I100-V202 HydrophobicContact CB-CG2 3.71Å; I100-V202 HydrophobicContact CD1-CG2 4.26Å; I100-V202 HydrophobicContact CG2-CG2 4.01Å; I100-V202 CarbonylContact O-C 3.55Å; I100-V202 VanDerWaalsContact O-CA 3.29Å; I100-V202 WeakPolarHBondContact O-CA 3.4Å; I100-L203 PolarHBondContact O-N 3.34Å
101	C	96	Very high	90.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	103.7	167.7	-64.6	0	0	0	0	108.1	G6 I7 V8 L203 V205 L272	G6-C101 PolarHBondContact O-N 3.32Å; I7-C101 CarbonylContact C-O 3.5Å; I7-C101 WeakPolarHBondContact CA-O 3.34Å; I7-C101 HydrophobicContact CG1-CB 4.42Å; V8-C101 PolarHBondContact N-O 3.21Å; C101-L203 CarbonylContact C-O 3.47Å; C101-L203 WeakPolarHBondContact CA-O 3.35Å; C101-V205 HydrophobicContact CB-CG2 4.35Å; C101-L272 HydrophobicContact CB-CD1 4.43Å
102	H	96.4	Very high	90.6	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	103.3	-173.9	-169.1	167.7	0	0	0	110.4	V8 I100 I128 V202 L203 Y204 V205	V8-H102 HydrophobicContact CG2-CB 3.84Å; V8-H102 CarbonylContact O-C 3.29Å; V8-H102 WeakPolarHBondContact O-CA 3.37Å; I100-H102 HydrophobicContact CG2-CB 4.41Å; H102-I128 WeakPolarHBondContact NE2-CD1 3.27Å; H102-V202 HydrophobicContact CB-CG1 4.25Å; H102-L203 PolarHBondContact N-O 2.81Å; H102-Y204 HydrophobicContact CB-CD1 3.84Å; H102-Y204 HydrophobicContact CB-CE1 3.92Å; H102-Y204 AromaticContact CG-CE1 3.81Å; H102-Y204 AromaticContact ND1-CE1 3.38Å; H102-Y204 WeakPolarHBondContact ND1-CE1 3.3Å; H102-Y204 WeakPolarHBondContact O-CA 3.45Å; H102-V205 PolarHBondContact O-N 3.45Å
103	V	96.4	Very high	90.4	Very high	1 Å²	1	50 Å²	50	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.7	176.6	-170.4	0	0	0	0	110.1	I7 V8 V13 L18 V205 N207	I7-V103 HydrophobicContact CG2-CG2 3.43Å; I7-V103 VanDerWaalsContact CG2-CG2 3.43Å; V8-V103 PolarHBondContact O-N 3.03Å; V13-V103 HydrophobicContact CB-CG1 4.41Å; V13-V103 HydrophobicContact CG2-CB 4.01Å; V13-V103 HydrophobicContact CG2-CG1 3.87Å; L18-V103 HydrophobicContact CD2-CG2 3.73Å; V103-V205 WeakPolarHBondContact CA-O 3.45Å; V103-V205 HydrophobicContact CG2-CB 4.23Å; V103-N207 HydrophobicContact CG1-CB 4.15Å
104	V	96.6	Very high	90.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.8	-176.7	-172.1	0	0	0	0	108.7	C106 P121 I125 Y204 V205 N207 V225	V104-C106 PolarHBondContact O-N 3.45Å; V104-P121 HydrophobicContact CG1-CB 3.61Å; V104-I125 HydrophobicContact CB-CG1 4.47Å; V104-I125 HydrophobicContact CG1-CD1 4.2Å; V104-I125 HydrophobicContact CG1-CG1 4.06Å; V104-I125 HydrophobicContact CG2-CD1 3.89Å; V104-I125 HydrophobicContact CG2-CG1 3.53Å; V104-Y204 HydrophobicContact CG2-CD1 3.97Å; V104-V205 PolarHBondContact N-O 3.36Å; V104-N207 PolarHBondContact O-N 2.76Å; V104-V225 HydrophobicContact CB-CG2 4.34Å; V104-V225 HydrophobicContact CG1-CG2 3.98Å
105	R	95.7	Very high	89.4	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.015	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122.4	178.6	-178.1	174.3	175.2	-179.2	0.3	110	V13 F107 N109 I112 V119	V13-R105 HydrophobicContact CB-CB 4.13Å; V13-R105 HydrophobicContact CG1-CB 4.01Å; R105-F107 HydrophobicContact CG-CD1 4.06Å; R105-F107 HydrophobicContact CG-CE1 3.85Å; R105-F107 HydrophobicContact CG-CE2 4.46Å; R105-F107 HydrophobicContact CG-CG 4.45Å; R105-F107 HydrophobicContact CG-CZ 4.06Å; R105-F107 PolarHBondContact NE-O 2.76Å; R105-N109 VanDerWaalsContact NH2-N 3.13Å; R105-N109 PolarHBondContact NH2-O 3.15Å; R105-I112 PolarHBondContact NH1-O 2.85Å; R105-I112 PolarHBondContact NH2-O 3.3Å; R105-V119 HydrophobicContact CB-CG1 4.37Å; R105-V119 HydrophobicContact CG-CG1 4.01Å; R105-V119 HydrophobicContact CG-CG2 4.37Å
106	C	97.2	Very high	88.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.			trans	-127.5	31.8	179	-62.3	0	0	0	0	111.5	V104 A206 N207 V208 N219 V222	V104-C106 PolarHBondContact O-N 3.45Å; C106-A206 HydrophobicContact CB-CB 4.42Å; C106-N207 CarbonylContact C-O 3.59Å; C106-N207 VanDerWaalsContact CA-O 3.25Å; C106-N207 WeakPolarHBondContact CA-O 3.11Å; C106-N207 VanDerWaalsContact CB-O 3.3Å; C106-N207 WeakPolarHBondContact CB-O 3.45Å; C106-N207 PolarHBondContact N-O 3.35Å; C106-V208 HydrophobicContact CB-CG1 3.79Å; C106-N219 PolarHBondContact O-ND2 2.55Å; C106-V222 HydrophobicContact CB-CG2 4.15Å
107	F	94.4	Very high	88.3	Confident	17 Å²	17	48.6 Å²	48.6	8%	0.075	27%	0.272	C	S	.	.			trans	-140.6	149.4	174.5	66.4	-93.2	0	0	0	110.9	R105 N109 I112 N207 D209	R105-F107 HydrophobicContact CG-CD1 4.06Å; R105-F107 HydrophobicContact CG-CE1 3.85Å; R105-F107 HydrophobicContact CG-CE2 4.46Å; R105-F107 HydrophobicContact CG-CG 4.45Å; R105-F107 HydrophobicContact CG-CZ 4.06Å; R105-F107 PolarHBondContact NE-O 2.76Å; F107-N109 HydrophobicContact CD2-CB 3.94Å; F107-N109 HydrophobicContact CE2-CB 3.86Å; F107-I112 HydrophobicContact CE2-CD1 3.82Å; F107-I112 HydrophobicContact CZ-CD1 4.13Å; F107-N207 VanDerWaalsContact CD1-O 3.3Å; F107-N207 WeakPolarHBondContact CD1-O 3.34Å; F107-D209 HydrophobicContact CB-CB 4.02Å
108	D	90.3	Very high	88.1	Confident	99 Å²	99	55.4 Å²	55.4	53%	0.529	30%	0.297	S	S	.	.			trans	-94.3	135.3	170.4	-76	-57.9	0	0	0	110.2	Y221	D108-Y221 PolarHBondContact OD1-OH 3.14Å; D108-Y221 VanDerWaalsContact OD2-CE2 3.3Å; D108-Y221 WeakPolarHBondContact OD2-CE2 3.39Å; D108-Y221 PolarHBondContact OD2-OH 2.99Å
109	N	87.4	Confident	87.9	Confident	51 Å²	51	52.8 Å²	52.8	27%	0.273	28%	0.284	S	S	.	.			trans	-151.8	113.9	174.4	-174.8	-31.6	0	0	0	107.9	R105 F107 N111 I112	R105-N109 VanDerWaalsContact NH2-N 3.13Å; R105-N109 PolarHBondContact NH2-O 3.15Å; F107-N109 HydrophobicContact CD2-CB 3.94Å; F107-N109 HydrophobicContact CE2-CB 3.86Å; N109-N111 PolarHBondContact O-N 3.05Å; N109-N111 VanDerWaalsContact O-N 3.14Å; N109-N111 WeakPolarHBondContact OD1-CB 3.39Å; N109-N111 PolarHBondContact OD1-N 2.86Å; N109-N111 PolarHBondContact OD1-ND2 3.28Å; N109-I112 HydrophobicContact CB-CB 4.21Å; N109-I112 HydrophobicContact CB-CD1 4.04Å; N109-I112 HydrophobicContact CB-CG1 4.14Å; N109-I112 PolarHBondContact O-N 3.42Å
110	E	81.1	Confident	87.9	Confident	202 Å²	202	54.5 Å²	54.5	94%	0.944	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.3	-176.6	-63.2	-173.2	170.9	0	0	112.8
111	N	82.8	Confident	88	Confident	150 Å²	150	54.6 Å²	54.6	80%	0.802	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-12.2	177.7	-56.5	-59.5	0	0	0	113	N109	N109-N111 PolarHBondContact O-N 3.05Å; N109-N111 VanDerWaalsContact O-N 3.14Å; N109-N111 WeakPolarHBondContact OD1-CB 3.39Å; N109-N111 PolarHBondContact OD1-N 2.86Å; N109-N111 PolarHBondContact OD1-ND2 3.28Å
112	I	78.5	Confident	87.9	Confident	45 Å²	45	57.4 Å²	57.4	23%	0.231	31%	0.308	C	S	.	.	S	Bend	trans	-111.4	104.8	-176.9	-59.1	176.4	0	0	0	109.1	N12 R105 F107 N109 H114	N12-I112 HydrophobicContact CB-CG2 3.72Å; R105-I112 PolarHBondContact NH1-O 2.85Å; R105-I112 PolarHBondContact NH2-O 3.3Å; F107-I112 HydrophobicContact CE2-CD1 3.82Å; F107-I112 HydrophobicContact CZ-CD1 4.13Å; N109-I112 HydrophobicContact CB-CB 4.21Å; N109-I112 HydrophobicContact CB-CD1 4.04Å; N109-I112 HydrophobicContact CB-CG1 4.14Å; N109-I112 PolarHBondContact O-N 3.42Å; I112-H114 PolarHBondContact O-N 3.06Å
113	T	79.8	Confident	87.7	Confident	104 Å²	104	60.4 Å²	60.4	64%	0.638	32%	0.322	S	S	*	.			trans	-67.5	133.1	-179.6	52.7	0	0	0	0	111.6	N12	N12-T113 PolarHBondContact ND2-O 3.14Å
114	H	78.5	Confident	87.5	Confident	20 Å²	20	60.5 Å²	60.5	9%	0.093	32%	0.323	C	S	.	.			trans	-92.6	144.5	167.3	-163.8	-101.1	0	0	0	110.3	I112 E116 G117 R118 D124	I112-H114 PolarHBondContact O-N 3.06Å; H114-E116 PolarHBondContact ND1-N 2.66Å; H114-E116 PolarHBondContact O-N 3.31Å; H114-G117 PolarHBondContact O-N 2.89Å; H114-R118 PolarHBondContact CE1-O 3.33Å; H114-R118 PolarHBondContact ND1-O 2.99Å; H114-D124 IonicContact CE1-OD1 2.72Å; H114-D124 PolarHBondContact CE1-OD1 2.65Å; H114-D124 IonicContact CE1-OD2 3.42Å; H114-D124 IonicContact NE2-OD1 3.19Å; H114-D124 PolarHBondContact NE2-OD1 3.48Å; H114-D124 IonicContact NE2-OD2 3.11Å; H114-D124 PolarHBondContact NE2-OD2 2.92Å; H114-D124 VanDerWaalsContact NE2-OD2 3.09Å
115	V	74.3	Confident	87.4	Confident	84 Å²	84	60.4 Å²	60.4	51%	0.509	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.1	-177.3	-179.5	0	0	0	0	111.6
116	E	74.7	Confident	87.3	Confident	95 Å²	95	64.9 Å²	64.9	44%	0.444	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	6	177.8	-62.7	-64.2	162.2	0	0	113.2	K78 H114 R118	K78-E116 WeakPolarHBondContact CD-OE1 3.3Å; K78-E116 IonicContact NZ-OE1 3.11Å; K78-E116 PolarHBondContact NZ-OE1 2.77Å; H114-E116 PolarHBondContact ND1-N 2.66Å; H114-E116 PolarHBondContact O-N 3.31Å; E116-R118 PolarHBondContact O-N 2.91Å; E116-R118 VanDerWaalsContact O-N 3.17Å
117	G	79.4	Confident	86.9	Confident	71 Å²	71	65.8 Å²	65.8	73%	0.732	35%	0.349	S	S	*	.	S	Bend	trans	76	-8.6	179.8	0	0	0	0	0	115.8	H114	H114-G117 PolarHBondContact O-N 2.89Å
118	R	86.7	Confident	86.7	Confident	144 Å²	144	65 Å²	65	54%	0.543	35%	0.346	S	S	.	.	S	Bend	trans	-136.5	147.5	170.8	68.3	178.4	-176.4	170.1	4.3	110.5	H114 E116 D120 E123	H114-R118 PolarHBondContact CE1-O 3.33Å; H114-R118 PolarHBondContact ND1-O 2.99Å; E116-R118 PolarHBondContact O-N 2.91Å; E116-R118 VanDerWaalsContact O-N 3.17Å; R118-D120 IonicContact CZ-OD2 2.64Å; R118-D120 IonicContact NH2-OD2 3.09Å; R118-E123 IonicContact CZ-OE1 3.79Å; R118-E123 IonicContact NH2-OE1 3.2Å; R118-E123 PolarHBondContact NH2-OE1 3.27Å; R118-E123 IonicContact NH2-OE2 3.87Å
119	V	90.5	Very high	86.8	Confident	16 Å²	16	60.8 Å²	60.8	10%	0.097	32%	0.323	C	S	.	.			trans	-74.4	125.4	171.7	-179.5	0	0	0	0	108.6	R105 Y221	R105-V119 HydrophobicContact CB-CG1 4.37Å; R105-V119 HydrophobicContact CG-CG1 4.01Å; R105-V119 HydrophobicContact CG-CG2 4.37Å; V119-Y221 HydrophobicContact CG1-CE2 4.43Å
120	D	94.4	Very high	87	Confident	36 Å²	36	62.5 Å²	62.5	19%	0.193	33%	0.332	C	S	.	.			trans	-142.8	94.9	174.4	-169.3	-36.7	0	0	0	108.7	R118 L122 E123 D124	R118-D120 IonicContact CZ-OD2 2.64Å; R118-D120 IonicContact NH2-OD2 3.09Å; D120-L122 PolarHBondContact O-N 3.4Å; D120-L122 PolarHBondContact OD1-N 2.84Å; D120-E123 HydrophobicContact CB-CB 4Å; D120-E123 HydrophobicContact CB-CG 4.18Å; D120-E123 PolarHBondContact O-N 2.83Å; D120-E123 PolarHBondContact OD1-N 2.87Å; D120-E123 VanDerWaalsContact OD1-N 3.11Å; D120-D124 WeakPolarHBondContact O-CB 3.49Å; D120-D124 VanDerWaalsContact O-CG 3.23Å; D120-D124 PolarHBondContact O-N 2.9Å
121	P	96	Very high	87.3	Confident	3 Å²	3	54 Å²	54	2%	0.019	29%	0.292	C	S	.	.	H	α-helix	trans	-56.5	-35.1	-175.8	-23.4	30.3	0	0	0	113.1	V104 I125 Y221 V225	V104-P121 HydrophobicContact CG1-CB 3.61Å; P121-I125 WeakPolarHBondContact O-CB 3.43Å; P121-I125 WeakPolarHBondContact O-CD1 3.26Å; P121-I125 WeakPolarHBondContact O-CG1 3.48Å; P121-I125 PolarHBondContact O-N 2.95Å; P121-Y221 HydrophobicContact CG-CD1 3.69Å; P121-Y221 HydrophobicContact CG-CG 3.84Å; P121-V225 HydrophobicContact CB-CG2 3.65Å
122	L	95.4	Very high	87.8	Confident	59 Å²	59	47 Å²	47	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-73.4	-48.3	-177.3	-178.9	60.9	0	0	0	110.7	D120 D124 I125 E126 T224 F228	D120-L122 PolarHBondContact O-N 3.4Å; D120-L122 PolarHBondContact OD1-N 2.84Å; L122-D124 PolarHBondContact O-N 3.27Å; L122-I125 PolarHBondContact O-N 2.95Å; L122-E126 HydrophobicContact CD1-CG 4.27Å; L122-E126 HydrophobicContact CG-CG 4.48Å; L122-E126 WeakPolarHBondContact O-CB 3.37Å; L122-E126 VanDerWaalsContact O-CG 3.3Å; L122-E126 WeakPolarHBondContact O-CG 3.38Å; L122-E126 PolarHBondContact O-N 2.8Å; L122-T224 HydrophobicContact CB-CG2 3.89Å; L122-F228 HydrophobicContact CD1-CB 4.17Å; L122-F228 HydrophobicContact CD1-CD2 3.42Å; L122-F228 VanDerWaalsContact CD1-CD2 3.42Å; L122-F228 HydrophobicContact CD1-CE2 4.07Å; L122-F228 HydrophobicContact CD1-CG 3.95Å
123	E	92.1	Very high	88.6	Confident	66 Å²	66	44.9 Å²	44.9	31%	0.308	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-35.2	175.9	-71.8	-176.2	-172.9	0	0	111.8	R118 D120 T127	R118-E123 IonicContact CZ-OE1 3.79Å; R118-E123 IonicContact NH2-OE1 3.2Å; R118-E123 PolarHBondContact NH2-OE1 3.27Å; R118-E123 IonicContact NH2-OE2 3.87Å; D120-E123 HydrophobicContact CB-CB 4Å; D120-E123 HydrophobicContact CB-CG 4.18Å; D120-E123 PolarHBondContact O-N 2.83Å; D120-E123 PolarHBondContact OD1-N 2.87Å; D120-E123 VanDerWaalsContact OD1-N 3.11Å; E123-T127 WeakPolarHBondContact O-CB 3.46Å; E123-T127 PolarHBondContact O-N 3.5Å; E123-T127 PolarHBondContact O-OG1 3.1Å
124	D	92.1	Very high	89.2	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-46.6	177.2	-72.3	-9.5	0	0	0	111.8	L10 H114 D120 L122 T127 I128	L10-D124 HydrophobicContact CD1-CB 3.76Å; L10-D124 VanDerWaalsContact CD1-OD1 3.29Å; L10-D124 WeakPolarHBondContact CD1-OD1 3.43Å; L10-D124 HydrophobicContact CG-CB 4.46Å; H114-D124 IonicContact CE1-OD1 2.72Å; H114-D124 PolarHBondContact CE1-OD1 2.65Å; H114-D124 IonicContact CE1-OD2 3.42Å; H114-D124 IonicContact NE2-OD1 3.19Å; H114-D124 PolarHBondContact NE2-OD1 3.48Å; H114-D124 IonicContact NE2-OD2 3.11Å; H114-D124 PolarHBondContact NE2-OD2 2.92Å; H114-D124 VanDerWaalsContact NE2-OD2 3.09Å; D120-D124 WeakPolarHBondContact O-CB 3.49Å; D120-D124 VanDerWaalsContact O-CG 3.23Å; D120-D124 PolarHBondContact O-N 2.9Å; L122-D124 PolarHBondContact O-N 3.27Å; D124-T127 WeakPolarHBondContact O-CB 3.41Å; D124-T127 PolarHBondContact O-N 2.95Å; D124-I128 PolarHBondContact O-N 3.36Å
125	I	94.5	Very high	89.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-48.3	175.8	-69.9	165.2	0	0	0	110.5	V104 P121 L122 T127 I128 N129 Y204 V225 F228	V104-I125 HydrophobicContact CB-CG1 4.47Å; V104-I125 HydrophobicContact CG1-CD1 4.2Å; V104-I125 HydrophobicContact CG1-CG1 4.06Å; V104-I125 HydrophobicContact CG2-CD1 3.89Å; V104-I125 HydrophobicContact CG2-CG1 3.53Å; P121-I125 WeakPolarHBondContact O-CB 3.43Å; P121-I125 WeakPolarHBondContact O-CD1 3.26Å; P121-I125 WeakPolarHBondContact O-CG1 3.48Å; P121-I125 PolarHBondContact O-N 2.95Å; L122-I125 PolarHBondContact O-N 2.95Å; I125-T127 VanDerWaalsContact C-N 3.28Å; I125-T127 PolarHBondContact O-N 2.6Å; I125-I128 PolarHBondContact O-N 3.45Å; I125-N129 VanDerWaalsContact CG2-ND2 3.32Å; I125-N129 WeakPolarHBondContact CG2-ND2 3.45Å; I125-N129 WeakPolarHBondContact O-CB 3.4Å; I125-N129 PolarHBondContact O-N 2.9Å; I125-Y204 HydrophobicContact CB-CE1 4.4Å; I125-Y204 HydrophobicContact CD1-CD1 3.98Å; I125-Y204 HydrophobicContact CD1-CE1 3.87Å; I125-Y204 HydrophobicContact CG1-CD1 4.16Å; I125-Y204 HydrophobicContact CG1-CE1 3.8Å; I125-Y204 HydrophobicContact CG2-CE1 3.68Å; I125-V225 HydrophobicContact CD1-CG1 4.2Å; I125-V225 HydrophobicContact CD1-CG2 4.1Å; I125-F228 HydrophobicContact CD1-CD1 4.16Å; I125-F228 HydrophobicContact CG2-CD1 3.7Å; I125-F228 HydrophobicContact CG2-CE1 3.26Å; I125-F228 HydrophobicContact CG2-CZ 3.77Å
126	E	92.3	Very high	90.8	Very high	97 Å²	97	39.3 Å²	39.3	45%	0.453	21%	0.209	S	C	.	.	H	α-helix	trans	-61	-37.1	179.1	-74.6	-179.2	170	0	0	111.8	L122 I128 N129 L130	L122-E126 HydrophobicContact CD1-CG 4.27Å; L122-E126 HydrophobicContact CG-CG 4.48Å; L122-E126 WeakPolarHBondContact O-CB 3.37Å; L122-E126 VanDerWaalsContact O-CG 3.3Å; L122-E126 WeakPolarHBondContact O-CG 3.38Å; L122-E126 PolarHBondContact O-N 2.8Å; E126-I128 PolarHBondContact O-N 2.81Å; E126-N129 PolarHBondContact O-N 3.02Å; E126-L130 WeakPolarHBondContact O-CB 3.3Å; E126-L130 PolarHBondContact O-N 3.37Å
127	T	89.7	Confident	91.8	Very high	20 Å²	20	36 Å²	36	12%	0.123	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-47.9	176.6	-67.1	0	0	0	0	111.3	L10 K78 E123 D124 I125 E131	L10-T127 HydrophobicContact CD2-CG2 4.13Å; K78-T127 HydrophobicContact CD-CG2 4.29Å; K78-T127 WeakPolarHBondContact CE-OG1 3.41Å; K78-T127 HydrophobicContact CG-CG2 3.9Å; E123-T127 WeakPolarHBondContact O-CB 3.46Å; E123-T127 PolarHBondContact O-N 3.5Å; E123-T127 PolarHBondContact O-OG1 3.1Å; D124-T127 WeakPolarHBondContact O-CB 3.41Å; D124-T127 PolarHBondContact O-N 2.95Å; I125-T127 VanDerWaalsContact C-N 3.28Å; I125-T127 PolarHBondContact O-N 2.6Å; T127-E131 PolarHBondContact O-N 2.96Å
128	I	90	Very high	92.5	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-71	-46.6	179.6	-73.9	169.2	0	0	0	110.5	L10 I76 F90 H102 D124 I125 E126 L130 E131 L132	L10-I128 HydrophobicContact CD2-CD1 3.98Å; L10-I128 HydrophobicContact CD2-CG1 3.93Å; L10-I128 HydrophobicContact CG-CD1 4.03Å; L10-I128 HydrophobicContact CG-CG1 4.39Å; I76-I128 HydrophobicContact CD1-CG1 4.04Å; F90-I128 HydrophobicContact CZ-CG2 4.12Å; H102-I128 WeakPolarHBondContact NE2-CD1 3.27Å; D124-I128 PolarHBondContact O-N 3.36Å; I125-I128 PolarHBondContact O-N 3.45Å; E126-I128 PolarHBondContact O-N 2.81Å; I128-L130 VanDerWaalsContact C-N 3.29Å; I128-L130 PolarHBondContact O-N 3.27Å; I128-E131 PolarHBondContact O-N 2.83Å; I128-L132 WeakPolarHBondContact O-CG 3.25Å; I128-L132 PolarHBondContact O-N 3.39Å
129	N	92.2	Very high	92.9	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-40	-179.5	-78.9	-18.5	0	0	0	111.9	I125 E126 E131 L132 V133 Y204	I125-N129 VanDerWaalsContact CG2-ND2 3.32Å; I125-N129 WeakPolarHBondContact CG2-ND2 3.45Å; I125-N129 WeakPolarHBondContact O-CB 3.4Å; I125-N129 PolarHBondContact O-N 2.9Å; E126-N129 PolarHBondContact O-N 3.02Å; N129-E131 PolarHBondContact O-N 2.82Å; N129-L132 WeakPolarHBondContact O-CB 3.34Å; N129-L132 PolarHBondContact O-N 2.93Å; N129-V133 WeakPolarHBondContact O-CB 3.16Å; N129-V133 VanDerWaalsContact O-CG2 3.27Å; N129-V133 WeakPolarHBondContact O-CG2 3.42Å; N129-V133 PolarHBondContact O-N 3.13Å; N129-Y204 PolarHBondContact ND2-OH 3.5Å
130	L	91.2	Very high	93.3	Very high	87 Å²	87	31 Å²	31	46%	0.455	17%	0.165	S	C	.	.	H	α-helix	trans	-60.7	-42.6	177.1	-178.6	62.2	0	0	0	112	E126 I128 L132 V133 L134	E126-L130 WeakPolarHBondContact O-CB 3.3Å; E126-L130 PolarHBondContact O-N 3.37Å; I128-L130 VanDerWaalsContact C-N 3.29Å; I128-L130 PolarHBondContact O-N 3.27Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-L132 PolarHBondContact O-N 3.43Å; L130-V133 PolarHBondContact O-N 3.2Å; L130-L134 HydrophobicContact CD1-CD1 4.39Å; L130-L134 HydrophobicContact CD1-CG 4.19Å; L130-L134 HydrophobicContact CG-CD1 4.13Å; L130-L134 HydrophobicContact CG-CG 4.36Å; L130-L134 WeakPolarHBondContact O-CB 3Å; L130-L134 VanDerWaalsContact O-CG 3.24Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 3.31Å
131	E	88.8	Confident	93.4	Very high	24 Å²	24	32 Å²	32	11%	0.112	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-37.4	177	-71.4	-71.2	167.2	0	0	111.7	I76 S81 T127 I128 N129 A135	I76-E131 HydrophobicContact CD1-CB 4.19Å; I76-E131 HydrophobicContact CD1-CG 4.25Å; S81-E131 WeakPolarHBondContact CB-OE1 3.39Å; S81-E131 WeakPolarHBondContact CB-OE2 3.13Å; S81-E131 PolarHBondContact OG-OE1 3.3Å; T127-E131 PolarHBondContact O-N 2.96Å; I128-E131 PolarHBondContact O-N 2.83Å; N129-E131 PolarHBondContact O-N 2.82Å; E131-A135 WeakPolarHBondContact O-CB 3.29Å; E131-A135 PolarHBondContact O-N 3Å
132	L	92.9	Very high	93.4	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-45.3	173.4	-56.3	-175.1	0	0	0	111.7	F90 L91 I94 I100 I128 N129 L130 A135 D136 L197 T198	F90-L132 HydrophobicContact CE1-CD2 3.92Å; L91-L132 HydrophobicContact CD2-CD2 3.85Å; I94-L132 HydrophobicContact CD1-CD2 3.65Å; I94-L132 HydrophobicContact CG2-CD2 4.41Å; I100-L132 HydrophobicContact CD1-CD1 4.17Å; I128-L132 WeakPolarHBondContact O-CG 3.25Å; I128-L132 PolarHBondContact O-N 3.39Å; N129-L132 WeakPolarHBondContact O-CB 3.34Å; N129-L132 PolarHBondContact O-N 2.93Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-L132 PolarHBondContact O-N 3.43Å; L132-A135 PolarHBondContact O-N 3.22Å; L132-D136 PolarHBondContact O-N 2.87Å; L132-L197 HydrophobicContact CB-CB 4.21Å; L132-L197 HydrophobicContact CD2-CB 4.22Å; L132-L197 HydrophobicContact CD2-CD1 3.99Å; L132-T198 HydrophobicContact CB-CG2 3.75Å
133	V	94.6	Very high	93.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-44.4	178.7	169.6	0	0	0	0	110.8	N129 L130 A135 D136 L137 L172 T198	N129-V133 WeakPolarHBondContact O-CB 3.16Å; N129-V133 VanDerWaalsContact O-CG2 3.27Å; N129-V133 WeakPolarHBondContact O-CG2 3.42Å; N129-V133 PolarHBondContact O-N 3.13Å; L130-V133 PolarHBondContact O-N 3.2Å; V133-A135 PolarHBondContact O-N 3.35Å; V133-D136 PolarHBondContact O-N 3.3Å; V133-L137 VanDerWaalsContact O-CB 3.23Å; V133-L137 WeakPolarHBondContact O-CB 3.39Å; V133-L137 PolarHBondContact O-N 3.13Å; V133-L172 HydrophobicContact CB-CD2 4.46Å; V133-L172 HydrophobicContact CG1-CB 4.25Å; V133-L172 HydrophobicContact CG1-CD2 3.96Å; V133-L172 WeakPolarHBondContact CG1-O 3.37Å; V133-L172 HydrophobicContact CG2-CD2 4.41Å; V133-T198 HydrophobicContact CB-CG2 4.35Å; V133-T198 HydrophobicContact CG2-CG2 3.66Å
134	L	92.4	Very high	93.7	Very high	76 Å²	76	39.5 Å²	39.5	40%	0.398	20%	0.195	S	C	.	.	H	α-helix	trans	-62.9	-41	178.4	-72	175.2	0	0	0	112	L130 L137 D138	L130-L134 HydrophobicContact CD1-CD1 4.39Å; L130-L134 HydrophobicContact CD1-CG 4.19Å; L130-L134 HydrophobicContact CG-CD1 4.13Å; L130-L134 HydrophobicContact CG-CG 4.36Å; L130-L134 WeakPolarHBondContact O-CB 3Å; L130-L134 VanDerWaalsContact O-CG 3.24Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 3.31Å; L134-L137 PolarHBondContact O-N 2.98Å; L134-D138 PolarHBondContact O-N 2.95Å
135	A	91.8	Very high	93.9	Very high	15 Å²	15	43.3 Å²	43.3	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-40	176.8	0	0	0	0	0	112.5	L91 E131 L132 V133 S139 L197	L91-A135 HydrophobicContact CD1-CB 3.72Å; L91-A135 HydrophobicContact CD2-CB 3.85Å; L91-A135 HydrophobicContact CG-CB 4.39Å; E131-A135 WeakPolarHBondContact O-CB 3.29Å; E131-A135 PolarHBondContact O-N 3Å; L132-A135 PolarHBondContact O-N 3.22Å; V133-A135 PolarHBondContact O-N 3.35Å; A135-S139 PolarHBondContact O-N 2.47Å; A135-S139 PolarHBondContact O-OG 3.32Å; A135-L197 HydrophobicContact CB-CD1 3.92Å
136	D	95.5	Very high	93.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-39.7	174.8	-79.7	-12.9	0	0	0	111.8	L132 V133 D138 S139 V140 L172 L196 L197 T198	L132-D136 PolarHBondContact O-N 2.87Å; V133-D136 PolarHBondContact O-N 3.3Å; D136-D138 PolarHBondContact O-N 2.63Å; D136-S139 CarbonylContact O-C 3.55Å; D136-S139 WeakPolarHBondContact O-CB 3.47Å; D136-S139 PolarHBondContact O-N 3.46Å; D136-S139 VanDerWaalsContact O-N 3.13Å; D136-V140 WeakPolarHBondContact O-CB 3.29Å; D136-V140 VanDerWaalsContact O-CG2 3.32Å; D136-V140 WeakPolarHBondContact O-CG2 3.16Å; D136-V140 PolarHBondContact O-N 2.83Å; D136-L172 HydrophobicContact CB-CD1 4.24Å; D136-L172 HydrophobicContact CB-CD2 4.13Å; D136-L196 HydrophobicContact CB-CD2 4.14Å; D136-L196 WeakPolarHBondContact OD1-CA 3.42Å; D136-L196 WeakPolarHBondContact OD2-CB 3.37Å; D136-L197 VanDerWaalsContact CG-N 3.29Å; D136-L197 PolarHBondContact OD1-N 2.95Å; D136-L197 PolarHBondContact OD2-N 3.46Å; D136-T198 WeakPolarHBondContact OD2-CB 3.3Å; D136-T198 WeakPolarHBondContact OD2-CG2 3.31Å; D136-T198 PolarHBondContact OD2-N 3.17Å; D136-T198 PolarHBondContact OD2-OG1 3.21Å
137	L	96	Very high	94.2	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-42.8	178.2	-178.4	57.7	0	0	0	111.6	V133 L134 S139 V140 N141 L172 E173	V133-L137 VanDerWaalsContact O-CB 3.23Å; V133-L137 WeakPolarHBondContact O-CB 3.39Å; V133-L137 PolarHBondContact O-N 3.13Å; L134-L137 PolarHBondContact O-N 2.98Å; L137-S139 VanDerWaalsContact C-N 3.32Å; L137-S139 PolarHBondContact O-N 3.38Å; L137-V140 PolarHBondContact O-N 3.19Å; L137-N141 VanDerWaalsContact O-CB 3.28Å; L137-N141 WeakPolarHBondContact O-CB 3.39Å; L137-N141 VanDerWaalsContact O-CG 3.27Å; L137-N141 PolarHBondContact O-N 3.42Å; L137-N141 PolarHBondContact O-ND2 3.47Å; L137-N141 VanDerWaalsContact O-ND2 3.1Å; L137-L172 HydrophobicContact CB-CB 4.22Å; L137-L172 HydrophobicContact CD1-CB 3.96Å; L137-E173 HydrophobicContact CD1-CG 3.78Å; L137-E173 HydrophobicContact CD2-CG 4.2Å
138	D	94.3	Very high	94.5	Very high	79 Å²	79	45.7 Å²	45.7	42%	0.422	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-43.8	172.7	175.3	63.2	0	0	0	111.5	L134 D136 N141 K142	L134-D138 PolarHBondContact O-N 2.95Å; D136-D138 PolarHBondContact O-N 2.63Å; D138-N141 PolarHBondContact O-N 3.17Å; D138-K142 VanDerWaalsContact CG-NZ 3.29Å; D138-K142 WeakPolarHBondContact O-CG 3.47Å; D138-K142 PolarHBondContact O-N 3.34Å; D138-K142 VanDerWaalsContact O-N 3.16Å; D138-K142 WeakPolarHBondContact OD1-CE 3.26Å; D138-K142 IonicContact OD1-NZ 3.35Å; D138-K142 PolarHBondContact OD1-NZ 3.44Å; D138-K142 VanDerWaalsContact OD1-NZ 3.14Å; D138-K142 WeakPolarHBondContact OD2-CE 3.17Å; D138-K142 IonicContact OD2-NZ 2.76Å; D138-K142 PolarHBondContact OD2-NZ 2.86Å
139	S	94.3	Very high	94.8	Very high	45 Å²	45	52.5 Å²	52.5	32%	0.315	26%	0.256	S	S	.	.	H	α-helix	trans	-64	-46	178.1	-59.6	0	0	0	0	111.9	A135 D136 L137 K142 R143	A135-S139 PolarHBondContact O-N 2.47Å; A135-S139 PolarHBondContact O-OG 3.32Å; D136-S139 CarbonylContact O-C 3.55Å; D136-S139 WeakPolarHBondContact O-CB 3.47Å; D136-S139 PolarHBondContact O-N 3.46Å; D136-S139 VanDerWaalsContact O-N 3.13Å; L137-S139 VanDerWaalsContact C-N 3.32Å; L137-S139 PolarHBondContact O-N 3.38Å; S139-K142 PolarHBondContact O-N 2.81Å; S139-R143 WeakPolarHBondContact O-CB 3.49Å; S139-R143 PolarHBondContact O-N 3.18Å
140	V	97.6	Very high	95	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-43	178.3	165.4	0	0	0	0	110.8	D136 L137 K142 R143 Y144 L165 K169 L172 L196	D136-V140 WeakPolarHBondContact O-CB 3.29Å; D136-V140 VanDerWaalsContact O-CG2 3.32Å; D136-V140 WeakPolarHBondContact O-CG2 3.16Å; D136-V140 PolarHBondContact O-N 2.83Å; L137-V140 PolarHBondContact O-N 3.19Å; V140-K142 PolarHBondContact O-N 3.18Å; V140-R143 PolarHBondContact O-N 3.44Å; V140-Y144 WeakPolarHBondContact O-CB 3.37Å; V140-Y144 PolarHBondContact O-N 2.87Å; V140-L165 HydrophobicContact CG1-CD2 4.12Å; V140-L165 HydrophobicContact CG2-CD2 4.38Å; V140-K169 HydrophobicContact CG1-CB 4.05Å; V140-K169 HydrophobicContact CG1-CG 4.44Å; V140-L172 HydrophobicContact CB-CD1 4.16Å; V140-L172 HydrophobicContact CG1-CD1 4.44Å; V140-L172 HydrophobicContact CG2-CD1 3.72Å; V140-L196 HydrophobicContact CG2-CD2 3.89Å
141	N	97.4	Very high	95.2	Very high	55 Å²	55	51.5 Å²	51.5	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-42.6	178.2	-81.2	-37.8	0	0	0	112.7	L137 D138 T145 K169	L137-N141 VanDerWaalsContact O-CB 3.28Å; L137-N141 WeakPolarHBondContact O-CB 3.39Å; L137-N141 VanDerWaalsContact O-CG 3.27Å; L137-N141 PolarHBondContact O-N 3.42Å; L137-N141 PolarHBondContact O-ND2 3.47Å; L137-N141 VanDerWaalsContact O-ND2 3.1Å; D138-N141 PolarHBondContact O-N 3.17Å; N141-T145 PolarHBondContact O-N 3.26Å; N141-T145 VanDerWaalsContact O-N 3.13Å; N141-T145 PolarHBondContact O-OG1 2.75Å; N141-K169 WeakPolarHBondContact OD1-CE 3.35Å
142	K	96.4	Very high	95.5	Very high	131 Å²	131	58.7 Å²	58.7	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-63.5	-43.9	174.4	-72.2	168.4	-178.1	163.8	0	111.2	D138 S139 V140 R146	D138-K142 VanDerWaalsContact CG-NZ 3.29Å; D138-K142 WeakPolarHBondContact O-CG 3.47Å; D138-K142 PolarHBondContact O-N 3.34Å; D138-K142 VanDerWaalsContact O-N 3.16Å; D138-K142 WeakPolarHBondContact OD1-CE 3.26Å; D138-K142 IonicContact OD1-NZ 3.35Å; D138-K142 PolarHBondContact OD1-NZ 3.44Å; D138-K142 VanDerWaalsContact OD1-NZ 3.14Å; D138-K142 WeakPolarHBondContact OD2-CE 3.17Å; D138-K142 IonicContact OD2-NZ 2.76Å; D138-K142 PolarHBondContact OD2-NZ 2.86Å; S139-K142 PolarHBondContact O-N 2.81Å; V140-K142 PolarHBondContact O-N 3.18Å; K142-R146 PolarHBondContact O-N 3.08Å
143	R	96.6	Very high	95.6	Very high	88 Å²	88	63.7 Å²	63.7	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-49.3	178.3	-164.3	83	-160.8	-163.2	-12.6	111.1	S139 V140 T145 R146 V147 E161 L165 L194	S139-R143 WeakPolarHBondContact O-CB 3.49Å; S139-R143 PolarHBondContact O-N 3.18Å; V140-R143 PolarHBondContact O-N 3.44Å; R143-T145 PolarHBondContact O-N 3Å; R143-R146 VanDerWaalsContact NE-NH2 3.13Å; R143-R146 PolarHBondContact O-N 2.63Å; R143-R146 VanDerWaalsContact O-N 3.13Å; R143-V147 HydrophobicContact CG-CG2 4.1Å; R143-V147 WeakPolarHBondContact O-CB 3.35Å; R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.32Å; R143-V147 PolarHBondContact O-N 2.85Å; R143-E161 WeakPolarHBondContact CG-OE1 3.4Å; R143-E161 IonicContact CZ-OE1 3.68Å; R143-E161 IonicContact CZ-OE2 3.49Å; R143-E161 IonicContact NE-OE1 2.73Å; R143-E161 PolarHBondContact NE-OE1 2.8Å; R143-E161 IonicContact NE-OE2 3.51Å; R143-E161 IonicContact NH2-OE1 3.44Å; R143-E161 PolarHBondContact NH2-OE1 2.94Å; R143-E161 IonicContact NH2-OE2 3.36Å; R143-E161 PolarHBondContact NH2-OE2 3.32Å; R143-L165 HydrophobicContact CB-CD1 4.33Å; R143-L165 HydrophobicContact CB-CD2 4.4Å; R143-L165 HydrophobicContact CG-CD1 3.92Å; R143-L165 HydrophobicContact CG-CD2 4.27Å; R143-L194 HydrophobicContact CG-CD2 4.09Å
144	Y	96.6	Very high	95.5	Very high	68 Å²	68	72.4 Å²	72.4	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-54.8	-50.3	179.8	-174.9	-88.9	0	0	0	111.8	V140 R146 V147 A148 L162 L165 D166 K169	V140-Y144 WeakPolarHBondContact O-CB 3.37Å; V140-Y144 PolarHBondContact O-N 2.87Å; Y144-R146 PolarHBondContact O-N 3.24Å; Y144-V147 PolarHBondContact O-N 3.27Å; Y144-A148 HydrophobicContact CE1-CB 4.38Å; Y144-A148 WeakPolarHBondContact O-CB 3.41Å; Y144-A148 PolarHBondContact O-N 2.77Å; Y144-L162 HydrophobicContact CD2-CD1 3.91Å; Y144-L162 HydrophobicContact CE2-CD1 3.57Å; Y144-L165 HydrophobicContact CD2-CB 3.9Å; Y144-D166 VanDerWaalsContact CE2-OD1 3.26Å; Y144-D166 WeakPolarHBondContact CE2-OD1 3.42Å; Y144-D166 PolarHBondContact OH-OD1 2.87Å; Y144-K169 HydrophobicContact CD2-CD 4.38Å; Y144-K169 HydrophobicContact CG-CD 4.41Å
145	T	95.7	Very high	95.7	Very high	82 Å²	82	72.3 Å²	72.3	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-58.4	-35.9	-179.9	-59.2	0	0	0	0	112.7	N141 R143 K149	N141-T145 PolarHBondContact O-N 3.26Å; N141-T145 VanDerWaalsContact O-N 3.13Å; N141-T145 PolarHBondContact O-OG1 2.75Å; R143-T145 PolarHBondContact O-N 3Å; T145-K149 WeakPolarHBondContact O-CG 3.17Å
146	R	96.2	Very high	95.8	Very high	139 Å²	139	79.8 Å²	79.8	53%	0.525	38%	0.382	S	S	.	.	H	α-helix	trans	-76.9	-50.2	177.6	-179.1	176.4	63.7	-148.7	1.2	111.5	K142 R143 Y144 K149 V150	K142-R146 PolarHBondContact O-N 3.08Å; R143-R146 VanDerWaalsContact NE-NH2 3.13Å; R143-R146 PolarHBondContact O-N 2.63Å; R143-R146 VanDerWaalsContact O-N 3.13Å; Y144-R146 PolarHBondContact O-N 3.24Å; R146-K149 PolarHBondContact O-N 3.22Å; R146-V150 PolarHBondContact O-N 3.43Å
147	V	96.8	Very high	95.8	Very high	7 Å²	7	85.3 Å²	85.3	4%	0.042	41%	0.411	C	S	.	.	H	α-helix	trans	-66.4	-40.2	-175.3	174.9	0	0	0	0	111	R143 Y144 K149 V150 A151 A158 E161 L162 L165	R143-V147 HydrophobicContact CG-CG2 4.1Å; R143-V147 WeakPolarHBondContact O-CB 3.35Å; R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.32Å; R143-V147 PolarHBondContact O-N 2.85Å; Y144-V147 PolarHBondContact O-N 3.27Å; V147-K149 PolarHBondContact O-N 2.83Å; V147-V150 PolarHBondContact O-N 3.28Å; V147-A151 WeakPolarHBondContact O-CB 3.4Å; V147-A151 PolarHBondContact O-N 3.38Å; V147-A158 HydrophobicContact CG1-CB 4.3Å; V147-A158 VanDerWaalsContact CG1-O 3.25Å; V147-A158 WeakPolarHBondContact CG1-O 3.38Å; V147-E161 HydrophobicContact CG1-CB 4.12Å; V147-E161 HydrophobicContact CG1-CG 4.26Å; V147-E161 HydrophobicContact CG2-CG 4.34Å; V147-E161 WeakPolarHBondContact CG2-OE1 3.45Å; V147-L162 HydrophobicContact CG1-CB 3.99Å; V147-L165 HydrophobicContact CB-CD1 4.06Å; V147-L165 HydrophobicContact CG1-CD1 4.27Å; V147-L165 HydrophobicContact CG2-CD1 4.13Å
148	A	96.3	Very high	95.8	Very high	21 Å²	21	84.4 Å²	84.4	17%	0.174	41%	0.407	C	S	.	.	H	α-helix	trans	-59.9	-30.8	177.7	0	0	0	0	0	113.3	Y144 K152 L162	Y144-A148 HydrophobicContact CE1-CB 4.38Å; Y144-A148 WeakPolarHBondContact O-CB 3.41Å; Y144-A148 PolarHBondContact O-N 2.77Å; A148-K152 WeakPolarHBondContact O-CG 3.35Å; A148-L162 HydrophobicContact CB-CD1 3.92Å
149	K	96.4	Very high	95.9	Very high	145 Å²	145	84 Å²	84	63%	0.63	41%	0.408	S	S	*	.	H	α-helix	trans	-72.1	-39.6	174.9	-69.4	175.4	-176	176.8	0	111.9	T145 R146 V147	T145-K149 WeakPolarHBondContact O-CG 3.17Å; R146-K149 PolarHBondContact O-N 3.22Å; V147-K149 PolarHBondContact O-N 2.83Å
150	V	96.3	Very high	96	Very high	63 Å²	63	84 Å²	84	38%	0.382	41%	0.41	S	S	.	.	H	α-helix	trans	-75.5	-39.8	179.8	-177.4	0	0	0	0	110.9	R146 V147 K152 T153 E155 A158	R146-V150 PolarHBondContact O-N 3.43Å; V147-V150 PolarHBondContact O-N 3.28Å; V150-K152 PolarHBondContact O-N 2.58Å; V150-K152 VanDerWaalsContact O-N 3.13Å; V150-T153 PolarHBondContact O-N 3.13Å; V150-T153 PolarHBondContact O-OG1 3.22Å; V150-E155 HydrophobicContact CG1-CB 4.15Å; V150-A158 HydrophobicContact CB-CB 3.98Å; V150-A158 HydrophobicContact CG1-CB 3.69Å
151	A	95.2	Very high	96	Very high	12 Å²	12	85.2 Å²	85.2	10%	0.099	42%	0.416	C	S	.	.	H	α-helix	trans	-58.9	-29.4	177.6	0	0	0	0	0	112.9	V147 T153 K154 A158 V159 L162	V147-A151 WeakPolarHBondContact O-CB 3.4Å; V147-A151 PolarHBondContact O-N 3.38Å; A151-T153 PolarHBondContact O-N 3.27Å; A151-K154 WeakPolarHBondContact O-CA 3.28Å; A151-K154 PolarHBondContact O-N 2.69Å; A151-A158 HydrophobicContact CB-CB 4.3Å; A151-V159 HydrophobicContact CB-CG2 4.12Å; A151-L162 HydrophobicContact CB-CB 4.18Å; A151-L162 HydrophobicContact CB-CD2 3.66Å
152	K	95.1	Very high	96.1	Very high	175 Å²	175	84 Å²	84	76%	0.761	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.9	173.1	-73.5	174.8	-176.4	-175.3	0	113.6	A148 V150 K154	A148-K152 WeakPolarHBondContact O-CG 3.35Å; V150-K152 PolarHBondContact O-N 2.58Å; V150-K152 VanDerWaalsContact O-N 3.13Å; K152-K154 PolarHBondContact O-N 3.06Å
153	T	95.4	Very high	96.1	Very high	106 Å²	106	80 Å²	80	65%	0.65	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	3.3	173.9	71.6	0	0	0	0	112.8	V150 A151 E155	V150-T153 PolarHBondContact O-N 3.13Å; V150-T153 PolarHBondContact O-OG1 3.22Å; A151-T153 PolarHBondContact O-N 3.27Å; T153-E155 VanDerWaalsContact C-N 3.26Å; T153-E155 PolarHBondContact O-N 3.4Å
154	K	93.3	Very high	96.2	Very high	184 Å²	184	75.8 Å²	75.8	80%	0.8	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	27.4	-179	-53.2	-178.9	178.1	-178	0	113.9	A151 K152 K156	A151-K154 WeakPolarHBondContact O-CA 3.28Å; A151-K154 PolarHBondContact O-N 2.69Å; K152-K154 PolarHBondContact O-N 3.06Å; K154-K156 PolarHBondContact O-N 3.5Å
155	E	96	Very high	96.3	Very high	74 Å²	74	72.5 Å²	72.5	35%	0.346	37%	0.371	S	S	.	.			trans	-66.9	126.9	169.4	-166.1	-75.3	120.4	0	0	109.4	V150 T153 N157 A158 V159	V150-E155 HydrophobicContact CG1-CB 4.15Å; T153-E155 VanDerWaalsContact C-N 3.26Å; T153-E155 PolarHBondContact O-N 3.4Å; E155-N157 PolarHBondContact O-N 3.03Å; E155-N157 WeakPolarHBondContact OE1-CB 3.4Å; E155-N157 PolarHBondContact OE1-N 2.88Å; E155-N157 PolarHBondContact OE2-N 3.07Å; E155-A158 HydrophobicContact CB-CB 4.35Å; E155-A158 PolarHBondContact O-N 3.23Å; E155-A158 WeakPolarHBondContact OE2-CB 3.15Å; E155-A158 PolarHBondContact OE2-N 3.32Å; E155-V159 VanDerWaalsContact O-CG2 3.32Å; E155-V159 WeakPolarHBondContact O-CG2 3.44Å; E155-V159 PolarHBondContact O-N 3.37Å
156	K	94.2	Very high	96.4	Very high	173 Å²	173	72.4 Å²	72.4	75%	0.752	37%	0.368	S	S	*	.	H	α-helix	trans	-62.1	-45.2	-165.9	-174.7	-177.2	175.8	-173.3	0	112.5	K154 V159 A160	K154-K156 PolarHBondContact O-N 3.5Å; K156-V159 PolarHBondContact O-N 3.42Å; K156-A160 PolarHBondContact O-N 3.49Å; K156-A160 VanDerWaalsContact O-N 3.14Å
157	N	94.7	Very high	96.4	Very high	115 Å²	115	69.7 Å²	69.7	62%	0.615	36%	0.36	S	S	*	.	H	α-helix	trans	-69.9	-40.3	-176.6	-65.2	-27.1	0	0	0	111.2	E155 V159 A160 E161	E155-N157 PolarHBondContact O-N 3.03Å; E155-N157 WeakPolarHBondContact OE1-CB 3.4Å; E155-N157 PolarHBondContact OE1-N 2.88Å; E155-N157 PolarHBondContact OE2-N 3.07Å; N157-V159 VanDerWaalsContact C-N 3.33Å; N157-V159 PolarHBondContact O-N 2.86Å; N157-A160 PolarHBondContact O-N 3.26Å; N157-E161 WeakPolarHBondContact O-CB 3.09Å; N157-E161 PolarHBondContact O-N 3.31Å
158	A	96.1	Very high	96.5	Very high	7 Å²	7	69.4 Å²	69.4	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-35	176	0	0	0	0	0	112.6	V147 V150 A151 E155 L162	V147-A158 HydrophobicContact CG1-CB 4.3Å; V147-A158 VanDerWaalsContact CG1-O 3.25Å; V147-A158 WeakPolarHBondContact CG1-O 3.38Å; V150-A158 HydrophobicContact CB-CB 3.98Å; V150-A158 HydrophobicContact CG1-CB 3.69Å; A151-A158 HydrophobicContact CB-CB 4.3Å; E155-A158 HydrophobicContact CB-CB 4.35Å; E155-A158 PolarHBondContact O-N 3.23Å; E155-A158 WeakPolarHBondContact OE2-CB 3.15Å; E155-A158 PolarHBondContact OE2-N 3.32Å; A158-L162 VanDerWaalsContact O-CB 3.25Å; A158-L162 WeakPolarHBondContact O-CB 3.38Å; A158-L162 PolarHBondContact O-N 3.04Å
159	V	97.1	Very high	96.5	Very high	72 Å²	72	70.5 Å²	70.5	44%	0.436	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-44.2	174.1	171.4	0	0	0	0	110.9	A151 E155 K156 N157 L162 A163	A151-V159 HydrophobicContact CB-CG2 4.12Å; E155-V159 VanDerWaalsContact O-CG2 3.32Å; E155-V159 WeakPolarHBondContact O-CG2 3.44Å; E155-V159 PolarHBondContact O-N 3.37Å; K156-V159 PolarHBondContact O-N 3.42Å; N157-V159 VanDerWaalsContact C-N 3.33Å; N157-V159 PolarHBondContact O-N 2.86Å; V159-L162 PolarHBondContact O-N 3.17Å; V159-A163 PolarHBondContact O-N 3.25Å; V159-A163 VanDerWaalsContact O-N 3.14Å
160	A	97.1	Very high	96.6	Very high	43 Å²	43	66.1 Å²	66.1	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-43	176.6	0	0	0	0	0	111.9	K156 N157 A163 V164 I190	K156-A160 PolarHBondContact O-N 3.49Å; K156-A160 VanDerWaalsContact O-N 3.14Å; N157-A160 PolarHBondContact O-N 3.26Å; A160-A163 PolarHBondContact O-N 3.43Å; A160-V164 PolarHBondContact O-N 3.43Å; A160-I190 HydrophobicContact CB-CD1 3.93Å
161	E	97.9	Very high	96.5	Very high	29 Å²	29	64.3 Å²	64.3	14%	0.136	33%	0.334	C	S	.	.	H	α-helix	trans	-65.2	-40.5	176.7	-172	-179.5	159.3	0	0	111.8	R143 V147 N157 A163 V164 L165 I190	R143-E161 WeakPolarHBondContact CG-OE1 3.4Å; R143-E161 IonicContact CZ-OE1 3.68Å; R143-E161 IonicContact CZ-OE2 3.49Å; R143-E161 IonicContact NE-OE1 2.73Å; R143-E161 PolarHBondContact NE-OE1 2.8Å; R143-E161 IonicContact NE-OE2 3.51Å; R143-E161 IonicContact NH2-OE1 3.44Å; R143-E161 PolarHBondContact NH2-OE1 2.94Å; R143-E161 IonicContact NH2-OE2 3.36Å; R143-E161 PolarHBondContact NH2-OE2 3.32Å; V147-E161 HydrophobicContact CG1-CB 4.12Å; V147-E161 HydrophobicContact CG1-CG 4.26Å; V147-E161 HydrophobicContact CG2-CG 4.34Å; V147-E161 WeakPolarHBondContact CG2-OE1 3.45Å; N157-E161 WeakPolarHBondContact O-CB 3.09Å; N157-E161 PolarHBondContact O-N 3.31Å; E161-A163 VanDerWaalsContact C-N 3.31Å; E161-A163 PolarHBondContact O-N 2.94Å; E161-V164 PolarHBondContact O-N 3.44Å; E161-L165 HydrophobicContact CG-CD1 4.14Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 VanDerWaalsContact O-CG 3.32Å; E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 3.08Å; E161-I190 HydrophobicContact CB-CG2 4.24Å; E161-I190 HydrophobicContact CG-CG2 3.93Å
162	L	97.9	Very high	96.6	Very high	30 Å²	30	63.9 Å²	63.9	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-42.9	175.9	-174.5	62.5	0	0	0	111.4	Y144 V147 A148 A151 A158 V159 V164 L165 D166	Y144-L162 HydrophobicContact CD2-CD1 3.91Å; Y144-L162 HydrophobicContact CE2-CD1 3.57Å; V147-L162 HydrophobicContact CG1-CB 3.99Å; A148-L162 HydrophobicContact CB-CD1 3.92Å; A151-L162 HydrophobicContact CB-CB 4.18Å; A151-L162 HydrophobicContact CB-CD2 3.66Å; A158-L162 VanDerWaalsContact O-CB 3.25Å; A158-L162 WeakPolarHBondContact O-CB 3.38Å; A158-L162 PolarHBondContact O-N 3.04Å; V159-L162 PolarHBondContact O-N 3.17Å; L162-V164 VanDerWaalsContact C-N 3.29Å; L162-V164 PolarHBondContact O-N 2.87Å; L162-L165 CarbonylContact O-C 3.57Å; L162-L165 PolarHBondContact O-N 2.76Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L162-D166 WeakPolarHBondContact O-CB 3.46Å; L162-D166 PolarHBondContact O-N 3.2Å
163	A	97.2	Very high	96.7	Very high	46 Å²	46	60.8 Å²	60.8	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-37	178	0	0	0	0	0	112.7	V159 A160 E161 K167	V159-A163 PolarHBondContact O-N 3.25Å; V159-A163 VanDerWaalsContact O-N 3.14Å; A160-A163 PolarHBondContact O-N 3.43Å; E161-A163 VanDerWaalsContact C-N 3.31Å; E161-A163 PolarHBondContact O-N 2.94Å; A163-K167 PolarHBondContact O-N 2.99Å
164	V	98.1	Very high	96.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.8	-42.8	173.7	172.9	0	0	0	0	111.1	A160 E161 L162 D166 K167 L168 F183 E187 I190 V191 L194	A160-V164 PolarHBondContact O-N 3.43Å; E161-V164 PolarHBondContact O-N 3.44Å; L162-V164 VanDerWaalsContact C-N 3.29Å; L162-V164 PolarHBondContact O-N 2.87Å; V164-D166 VanDerWaalsContact C-N 3.33Å; V164-D166 PolarHBondContact O-N 2.98Å; V164-K167 WeakPolarHBondContact O-CB 3.43Å; V164-K167 PolarHBondContact O-N 2.83Å; V164-L168 HydrophobicContact CG1-CD1 3.8Å; V164-L168 HydrophobicContact CG1-CG 4.46Å; V164-L168 WeakPolarHBondContact O-CG 3.49Å; V164-L168 PolarHBondContact O-N 3.18Å; V164-F183 HydrophobicContact CG1-CE1 4.13Å; V164-E187 HydrophobicContact CG2-CB 3.84Å; V164-E187 HydrophobicContact CG2-CG 3.75Å; V164-I190 HydrophobicContact CB-CG2 4.09Å; V164-I190 HydrophobicContact CG1-CG2 4.13Å; V164-I190 HydrophobicContact CG2-CB 4.13Å; V164-I190 HydrophobicContact CG2-CD1 3.91Å; V164-I190 HydrophobicContact CG2-CG2 4.11Å; V164-V191 HydrophobicContact CG1-CG2 3.6Å; V164-L194 HydrophobicContact CG1-CD1 4.45Å
165	L	98.4	Very high	96.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-34.3	177.6	-63.6	169	0	0	0	112.4	V140 R143 Y144 V147 E161 L162 K167 L168 K169 L194	V140-L165 HydrophobicContact CG1-CD2 4.12Å; V140-L165 HydrophobicContact CG2-CD2 4.38Å; R143-L165 HydrophobicContact CB-CD1 4.33Å; R143-L165 HydrophobicContact CB-CD2 4.4Å; R143-L165 HydrophobicContact CG-CD1 3.92Å; R143-L165 HydrophobicContact CG-CD2 4.27Å; Y144-L165 HydrophobicContact CD2-CB 3.9Å; V147-L165 HydrophobicContact CB-CD1 4.06Å; V147-L165 HydrophobicContact CG1-CD1 4.27Å; V147-L165 HydrophobicContact CG2-CD1 4.13Å; E161-L165 HydrophobicContact CG-CD1 4.14Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 VanDerWaalsContact O-CG 3.32Å; E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 3.08Å; L162-L165 CarbonylContact O-C 3.57Å; L162-L165 PolarHBondContact O-N 2.76Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L165-K167 PolarHBondContact O-N 2.88Å; L165-L168 HydrophobicContact CD2-CD1 4.4Å; L165-L168 PolarHBondContact O-N 2.66Å; L165-K169 VanDerWaalsContact O-CB 3.25Å; L165-K169 WeakPolarHBondContact O-CB 3.24Å; L165-K169 PolarHBondContact O-N 2.76Å; L165-L194 HydrophobicContact CD2-CD1 3.86Å; L165-L194 HydrophobicContact CD2-CD2 4.3Å
166	D	97.7	Very high	96.5	Very high	80 Å²	80	56.6 Å²	56.6	43%	0.428	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-29.5	173.7	-81.4	-39.2	0	0	0	112.1	Y144 L162 V164 P170	Y144-D166 VanDerWaalsContact CE2-OD1 3.26Å; Y144-D166 WeakPolarHBondContact CE2-OD1 3.42Å; Y144-D166 PolarHBondContact OH-OD1 2.87Å; L162-D166 WeakPolarHBondContact O-CB 3.46Å; L162-D166 PolarHBondContact O-N 3.2Å; V164-D166 VanDerWaalsContact C-N 3.33Å; V164-D166 PolarHBondContact O-N 2.98Å; D166-P170 WeakPolarHBondContact O-CD 3.27Å; D166-P170 WeakPolarHBondContact O-CG 3.35Å
167	K	97.5	Very high	96.5	Very high	82 Å²	82	48.7 Å²	48.7	36%	0.357	27%	0.271	S	S	.	.	H	α-helix	trans	-77.1	-45.7	171.2	-68.7	-178.8	174.8	-174.3	0	112.3	A163 V164 L165 P170 F183 E187	A163-K167 PolarHBondContact O-N 2.99Å; V164-K167 WeakPolarHBondContact O-CB 3.43Å; V164-K167 PolarHBondContact O-N 2.83Å; L165-K167 PolarHBondContact O-N 2.88Å; K167-P170 WeakPolarHBondContact O-CD 3.33Å; K167-F183 HydrophobicContact CB-CE1 4.31Å; K167-F183 HydrophobicContact CD-CD1 4.39Å; K167-F183 HydrophobicContact CD-CE1 4.25Å; K167-E187 VanDerWaalsContact CE-OE1 3.3Å; K167-E187 WeakPolarHBondContact CE-OE1 3.34Å; K167-E187 IonicContact NZ-OE1 2.7Å; K167-E187 PolarHBondContact NZ-OE1 2.83Å; K167-E187 IonicContact NZ-OE2 2.94Å; K167-E187 PolarHBondContact NZ-OE2 3.39Å
168	L	97.7	Very high	96.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.5	-46.2	-175.1	-78.2	163.8	0	0	0	113.3	V164 L165 V171 L172 A178 I181 F183 L194 L196	V164-L168 HydrophobicContact CG1-CD1 3.8Å; V164-L168 HydrophobicContact CG1-CG 4.46Å; V164-L168 WeakPolarHBondContact O-CG 3.49Å; V164-L168 PolarHBondContact O-N 3.18Å; L165-L168 HydrophobicContact CD2-CD1 4.4Å; L165-L168 PolarHBondContact O-N 2.66Å; L168-V171 PolarHBondContact O-N 3.26Å; L168-L172 HydrophobicContact CB-CD1 4.46Å; L168-L172 WeakPolarHBondContact O-CG 3.15Å; L168-L172 PolarHBondContact O-N 2.92Å; L168-A178 HydrophobicContact CD2-CB 3.57Å; L168-I181 HydrophobicContact CD2-CD1 4.04Å; L168-F183 HydrophobicContact CD2-CE2 4.44Å; L168-F183 HydrophobicContact CD2-CZ 3.72Å; L168-F183 HydrophobicContact CG-CE1 4.43Å; L168-F183 HydrophobicContact CG-CZ 3.95Å; L168-L194 HydrophobicContact CD1-CD1 3.5Å; L168-L196 HydrophobicContact CD1-CD1 3.81Å; L168-L196 HydrophobicContact CD2-CD1 3.67Å; L168-L196 HydrophobicContact CG-CD1 4.4Å
169	K	97.4	Very high	96.3	Very high	44 Å²	44	44.9 Å²	44.9	19%	0.191	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-51.7	-170.3	-174.4	179.9	171.9	-68.1	0	113.7	V140 N141 Y144 L165 V171 L172 E173	V140-K169 HydrophobicContact CG1-CB 4.05Å; V140-K169 HydrophobicContact CG1-CG 4.44Å; N141-K169 WeakPolarHBondContact OD1-CE 3.35Å; Y144-K169 HydrophobicContact CD2-CD 4.38Å; Y144-K169 HydrophobicContact CG-CD 4.41Å; L165-K169 VanDerWaalsContact O-CB 3.25Å; L165-K169 WeakPolarHBondContact O-CB 3.24Å; L165-K169 PolarHBondContact O-N 2.76Å; K169-V171 VanDerWaalsContact C-N 3.33Å; K169-V171 PolarHBondContact O-N 3.29Å; K169-L172 PolarHBondContact O-N 3.1Å; K169-E173 HydrophobicContact CG-CG 4.48Å; K169-E173 IonicContact NZ-OE1 3.71Å; K169-E173 PolarHBondContact NZ-OE1 3.29Å; K169-E173 IonicContact NZ-OE2 3.99Å; K169-E173 PolarHBondContact NZ-OE2 3.11Å; K169-E173 WeakPolarHBondContact O-CG 3.39Å; K169-E173 PolarHBondContact O-N 3.48Å
170	P	97.4	Very high	96	Very high	54 Å²	54	44 Å²	44	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-38.6	-179.5	23.7	-33.8	0	0	0	112.7	D166 K167 E173 E174	D166-P170 WeakPolarHBondContact O-CD 3.27Å; D166-P170 WeakPolarHBondContact O-CG 3.35Å; K167-P170 WeakPolarHBondContact O-CD 3.33Å; P170-E173 PolarHBondContact O-N 3.41Å; P170-E174 WeakPolarHBondContact O-CG 3.37Å; P170-E174 PolarHBondContact O-N 3.31Å
171	V	96	Very high	95.8	Very high	25 Å²	25	43.2 Å²	43.2	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-44.8	178.4	175.6	0	0	0	0	111.2	L168 K169 E173 E174 G175 Q176 I181	L168-V171 PolarHBondContact O-N 3.26Å; K169-V171 VanDerWaalsContact C-N 3.33Å; K169-V171 PolarHBondContact O-N 3.29Å; V171-E173 VanDerWaalsContact C-N 3.34Å; V171-E173 PolarHBondContact O-N 3.4Å; V171-E174 PolarHBondContact O-N 3.46Å; V171-G175 PolarHBondContact O-N 3.45Å; V171-Q176 HydrophobicContact CG1-CB 3.55Å; V171-Q176 WeakPolarHBondContact O-CB 3.42Å; V171-Q176 PolarHBondContact O-N 3.05Å; V171-I181 HydrophobicContact CB-CD1 3.78Å; V171-I181 HydrophobicContact CB-CG1 4.26Å; V171-I181 HydrophobicContact CG1-CD1 3.92Å; V171-I181 HydrophobicContact CG1-CG1 3.97Å; V171-I181 HydrophobicContact CG2-CD1 3.62Å; V171-I181 HydrophobicContact CG2-CG1 3.9Å
172	L	96.6	Very high	95.5	Very high	3 Å²	3	50 Å²	50	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-33.9	175.1	-66.8	170.1	0	0	0	112.3	V133 D136 L137 V140 L168 K169 E174 G175	V133-L172 HydrophobicContact CB-CD2 4.46Å; V133-L172 HydrophobicContact CG1-CB 4.25Å; V133-L172 HydrophobicContact CG1-CD2 3.96Å; V133-L172 WeakPolarHBondContact CG1-O 3.37Å; V133-L172 HydrophobicContact CG2-CD2 4.41Å; D136-L172 HydrophobicContact CB-CD1 4.24Å; D136-L172 HydrophobicContact CB-CD2 4.13Å; L137-L172 HydrophobicContact CB-CB 4.22Å; L137-L172 HydrophobicContact CD1-CB 3.96Å; V140-L172 HydrophobicContact CB-CD1 4.16Å; V140-L172 HydrophobicContact CG1-CD1 4.44Å; V140-L172 HydrophobicContact CG2-CD1 3.72Å; L168-L172 HydrophobicContact CB-CD1 4.46Å; L168-L172 WeakPolarHBondContact O-CG 3.15Å; L168-L172 PolarHBondContact O-N 2.92Å; K169-L172 PolarHBondContact O-N 3.1Å; L172-E174 VanDerWaalsContact C-N 3.28Å; L172-E174 PolarHBondContact O-N 2.83Å; L172-G175 PolarHBondContact O-N 3.48Å; L172-G175 VanDerWaalsContact O-N 3.16Å
173	E	96.9	Very high	95.3	Very high	109 Å²	109	49.8 Å²	49.8	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-67.4	-28.4	174.2	-75.7	178	139.9	0	0	112.9	L137 K169 P170 V171 G175	L137-E173 HydrophobicContact CD1-CG 3.78Å; L137-E173 HydrophobicContact CD2-CG 4.2Å; K169-E173 HydrophobicContact CG-CG 4.48Å; K169-E173 IonicContact NZ-OE1 3.71Å; K169-E173 PolarHBondContact NZ-OE1 3.29Å; K169-E173 IonicContact NZ-OE2 3.99Å; K169-E173 PolarHBondContact NZ-OE2 3.11Å; K169-E173 WeakPolarHBondContact O-CG 3.39Å; K169-E173 PolarHBondContact O-N 3.48Å; P170-E173 PolarHBondContact O-N 3.41Å; V171-E173 VanDerWaalsContact C-N 3.34Å; V171-E173 PolarHBondContact O-N 3.4Å; E173-G175 PolarHBondContact O-N 3.06Å
174	E	95.5	Very high	95.2	Very high	145 Å²	145	51.4 Å²	51.4	68%	0.678	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	1.2	173	-70.8	174.2	-169.8	0	0	113	P170 V171 L172	P170-E174 WeakPolarHBondContact O-CG 3.37Å; P170-E174 PolarHBondContact O-N 3.31Å; V171-E174 PolarHBondContact O-N 3.46Å; L172-E174 VanDerWaalsContact C-N 3.28Å; L172-E174 PolarHBondContact O-N 2.83Å
175	G	91.9	Very high	95.1	Very high	37 Å²	37	59.1 Å²	59.1	38%	0.381	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	11.1	179	0	0	0	0	0	114.2	V171 L172 E173	V171-G175 PolarHBondContact O-N 3.45Å; L172-G175 PolarHBondContact O-N 3.48Å; L172-G175 VanDerWaalsContact O-N 3.16Å; E173-G175 PolarHBondContact O-N 3.06Å
176	Q	93	Very high	94.9	Very high	94 Å²	94	66.3 Å²	66.3	44%	0.439	34%	0.336	S	S	.	.			trans	-97.1	150.5	-177.1	-65.7	-174.6	-20.8	0	0	112.5	V171	V171-Q176 HydrophobicContact CG1-CB 3.55Å; V171-Q176 WeakPolarHBondContact O-CB 3.42Å; V171-Q176 PolarHBondContact O-N 3.05Å
177	S	93.9	Very high	94.8	Very high	8 Å²	8	63.9 Å²	63.9	6%	0.056	32%	0.322	C	S	.	.			trans	-73.9	146.2	-179.7	-67	0	0	0	0	112.8	R179 T180	S177-R179 PolarHBondContact O-N 2.92Å; S177-T180 PolarHBondContact O-N 3.31Å; S177-T180 VanDerWaalsContact O-N 3.07Å; S177-T180 PolarHBondContact O-OG1 2.74Å
178	A	94.9	Very high	94.7	Very high	2 Å²	2	63.6 Å²	63.6	2%	0.017	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-57.7	-22.5	175.4	0	0	0	0	0	114.1	L168 T180 I181 L196 T198	L168-A178 HydrophobicContact CD2-CB 3.57Å; A178-T180 VanDerWaalsContact C-N 3.26Å; A178-T180 PolarHBondContact O-N 3.26Å; A178-I181 PolarHBondContact O-N 3.33Å; A178-L196 HydrophobicContact CB-CD1 4Å; A178-T198 VanDerWaalsContact CB-OG1 3.26Å; A178-T198 WeakPolarHBondContact CB-OG1 3.29Å; A178-T198 PolarHBondContact N-OG1 2.89Å; A178-T198 VanDerWaalsContact N-OG1 3.15Å
179	R	91.9	Very high	94.6	Very high	39 Å²	39	70.7 Å²	70.7	15%	0.147	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-70.3	-14.5	177.1	73.6	179.8	72	121.1	-4.3	115.2	S177 I181 T198 K200 V202 E232	S177-R179 PolarHBondContact O-N 2.92Å; R179-I181 PolarHBondContact O-N 2.9Å; R179-T198 PolarHBondContact N-O 3.38Å; R179-T198 PolarHBondContact NE-O 3.26Å; R179-K200 VanDerWaalsContact CZ-O 3.28Å; R179-K200 PolarHBondContact NE-O 3.04Å; R179-K200 VanDerWaalsContact NE-O 3.11Å; R179-K200 PolarHBondContact NH2-O 3.28Å; R179-V202 VanDerWaalsContact NH1-CG2 3.28Å; R179-E232 VanDerWaalsContact CD-OE2 3.27Å; R179-E232 WeakPolarHBondContact CD-OE2 3.43Å; R179-E232 HydrophobicContact CG-CB 4.4Å; R179-E232 IonicContact CZ-OE2 2.83Å; R179-E232 IonicContact NE-OE2 2.96Å; R179-E232 IonicContact NH1-OE1 3.47Å; R179-E232 IonicContact NH1-OE2 3.32Å; R179-E232 PolarHBondContact NH1-OE2 3.18Å
180	T	90.7	Very high	94.5	Very high	54 Å²	54	70.6 Å²	70.6	33%	0.331	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-77.2	-6.2	174.2	66.4	0	0	0	0	112.5	S177 A178 E232	S177-T180 PolarHBondContact O-N 3.31Å; S177-T180 VanDerWaalsContact O-N 3.07Å; S177-T180 PolarHBondContact O-OG1 2.74Å; A178-T180 VanDerWaalsContact C-N 3.26Å; A178-T180 PolarHBondContact O-N 3.26Å; T180-E232 HydrophobicContact CG2-CB 4.19Å
181	I	92.6	Very high	94.5	Very high	27 Å²	27	68.2 Å²	68.2	14%	0.138	34%	0.338	C	S	.	.	S	Bend	trans	-98.9	127.1	-177.9	-51.3	177.2	0	0	0	110.2	L168 V171 A178 R179 F183	L168-I181 HydrophobicContact CD2-CD1 4.04Å; V171-I181 HydrophobicContact CB-CD1 3.78Å; V171-I181 HydrophobicContact CB-CG1 4.26Å; V171-I181 HydrophobicContact CG1-CD1 3.92Å; V171-I181 HydrophobicContact CG1-CG1 3.97Å; V171-I181 HydrophobicContact CG2-CD1 3.62Å; V171-I181 HydrophobicContact CG2-CG1 3.9Å; A178-I181 PolarHBondContact O-N 3.33Å; R179-I181 PolarHBondContact O-N 2.9Å; I181-F183 HydrophobicContact CB-CD2 4.29Å; I181-F183 HydrophobicContact CB-CE1 4.4Å; I181-F183 HydrophobicContact CB-CE2 3.62Å; I181-F183 HydrophobicContact CB-CZ 3.68Å; I181-F183 HydrophobicContact CD1-CZ 3.92Å; I181-F183 HydrophobicContact CG1-CZ 4.4Å; I181-F183 HydrophobicContact CG2-CD1 4.16Å; I181-F183 HydrophobicContact CG2-CD2 4.24Å; I181-F183 HydrophobicContact CG2-CE1 3.7Å; I181-F183 HydrophobicContact CG2-CE2 3.78Å; I181-F183 HydrophobicContact CG2-CG 4.41Å; I181-F183 HydrophobicContact CG2-CZ 3.49Å; I181-F183 VanDerWaalsContact CG2-CZ 3.49Å; I181-F183 WeakPolarHBondContact O-CD2 3.39Å
182	E	91.7	Very high	94.3	Very high	172 Å²	172	74.4 Å²	74.4	80%	0.804	36%	0.363	S	S	*	.			trans	-77.4	122.8	167.2	-67.3	-173.9	170.6	0	0	111.1
183	F	94.3	Very high	94.1	Very high	24 Å²	24	76.3 Å²	76.3	11%	0.105	38%	0.384	C	S	.	.			trans	-116.2	144.5	175.7	-63.5	-75.7	0	0	0	110.6	V164 K167 L168 I181 E187 Q188 V191	V164-F183 HydrophobicContact CG1-CE1 4.13Å; K167-F183 HydrophobicContact CB-CE1 4.31Å; K167-F183 HydrophobicContact CD-CD1 4.39Å; K167-F183 HydrophobicContact CD-CE1 4.25Å; L168-F183 HydrophobicContact CD2-CE2 4.44Å; L168-F183 HydrophobicContact CD2-CZ 3.72Å; L168-F183 HydrophobicContact CG-CE1 4.43Å; L168-F183 HydrophobicContact CG-CZ 3.95Å; I181-F183 HydrophobicContact CB-CD2 4.29Å; I181-F183 HydrophobicContact CB-CE1 4.4Å; I181-F183 HydrophobicContact CB-CE2 3.62Å; I181-F183 HydrophobicContact CB-CZ 3.68Å; I181-F183 HydrophobicContact CD1-CZ 3.92Å; I181-F183 HydrophobicContact CG1-CZ 4.4Å; I181-F183 HydrophobicContact CG2-CD1 4.16Å; I181-F183 HydrophobicContact CG2-CD2 4.24Å; I181-F183 HydrophobicContact CG2-CE1 3.7Å; I181-F183 HydrophobicContact CG2-CE2 3.78Å; I181-F183 HydrophobicContact CG2-CG 4.41Å; I181-F183 HydrophobicContact CG2-CZ 3.49Å; I181-F183 VanDerWaalsContact CG2-CZ 3.49Å; I181-F183 WeakPolarHBondContact O-CD2 3.39Å; F183-E187 WeakPolarHBondContact CA-OE2 3.41Å; F183-E187 HydrophobicContact CB-CB 3.81Å; F183-E187 HydrophobicContact CD1-CB 3.96Å; F183-E187 HydrophobicContact CG-CB 4.32Å; F183-Q188 HydrophobicContact CB-CG 3.7Å; F183-V191 HydrophobicContact CD1-CG2 3.93Å; F183-V191 HydrophobicContact CD2-CG2 3.9Å; F183-V191 HydrophobicContact CE1-CG2 3.82Å; F183-V191 HydrophobicContact CE2-CG1 4.43Å; F183-V191 HydrophobicContact CE2-CG2 3.79Å; F183-V191 HydrophobicContact CG-CG2 3.96Å; F183-V191 HydrophobicContact CZ-CG2 3.75Å
184	T	96.1	Very high	94	Very high	80 Å²	80	72.4 Å²	72.4	49%	0.491	37%	0.366	S	S	.	.			trans	-66.9	163.1	169.4	68.8	0	0	0	0	111.2	E186 E187 Q188	T184-E186 PolarHBondContact O-N 3.32Å; T184-E186 VanDerWaalsContact O-N 3.16Å; T184-E187 PolarHBondContact N-OE2 3.02Å; T184-E187 PolarHBondContact O-N 2.94Å; T184-E187 VanDerWaalsContact OG1-CG 3.28Å; T184-E187 WeakPolarHBondContact OG1-CG 3.32Å; T184-E187 PolarHBondContact OG1-N 2.78Å; T184-E187 PolarHBondContact OG1-OE2 2.87Å; T184-Q188 WeakPolarHBondContact O-CG 3.38Å; T184-Q188 PolarHBondContact O-N 3.41Å
185	E	94.1	Very high	93.9	Very high	162 Å²	162	73.1 Å²	73.1	76%	0.757	37%	0.367	S	S	*	.	H	α-helix	trans	-56.2	-34	178.3	-67	-172.5	173.9	0	0	113.8	K189	E185-K189 WeakPolarHBondContact O-CG 3.16Å; E185-K189 PolarHBondContact O-N 2.8Å
186	E	94.4	Very high	94.1	Very high	151 Å²	151	71.5 Å²	71.5	71%	0.706	35%	0.35	S	S	*	.	H	α-helix	trans	-71.3	-41.9	176.1	-65.8	-167.9	158.2	0	0	111.5	T184 K189	T184-E186 PolarHBondContact O-N 3.32Å; T184-E186 VanDerWaalsContact O-N 3.16Å; E186-K189 PolarHBondContact O-N 3.37Å
187	E	97	Very high	94.2	Very high	30 Å²	30	67 Å²	67	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-40.2	176.3	-68.8	174.3	147.6	0	0	111.4	V164 K167 F183 T184 K189 I190 V191	V164-E187 HydrophobicContact CG2-CB 3.84Å; V164-E187 HydrophobicContact CG2-CG 3.75Å; K167-E187 VanDerWaalsContact CE-OE1 3.3Å; K167-E187 WeakPolarHBondContact CE-OE1 3.34Å; K167-E187 IonicContact NZ-OE1 2.7Å; K167-E187 PolarHBondContact NZ-OE1 2.83Å; K167-E187 IonicContact NZ-OE2 2.94Å; K167-E187 PolarHBondContact NZ-OE2 3.39Å; F183-E187 WeakPolarHBondContact CA-OE2 3.41Å; F183-E187 HydrophobicContact CB-CB 3.81Å; F183-E187 HydrophobicContact CD1-CB 3.96Å; F183-E187 HydrophobicContact CG-CB 4.32Å; T184-E187 PolarHBondContact N-OE2 3.02Å; T184-E187 PolarHBondContact O-N 2.94Å; T184-E187 VanDerWaalsContact OG1-CG 3.28Å; T184-E187 WeakPolarHBondContact OG1-CG 3.32Å; T184-E187 PolarHBondContact OG1-N 2.78Å; T184-E187 PolarHBondContact OG1-OE2 2.87Å; E187-K189 PolarHBondContact O-N 2.97Å; E187-I190 CarbonylContact O-C 3.59Å; E187-I190 WeakPolarHBondContact O-CA 3.45Å; E187-I190 WeakPolarHBondContact O-CB 3.34Å; E187-I190 PolarHBondContact O-N 3.39Å; E187-V191 WeakPolarHBondContact O-CG2 3.38Å; E187-V191 PolarHBondContact O-N 3Å
188	Q	94.6	Very high	94.2	Very high	75 Å²	75	66.6 Å²	66.6	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-59.3	-35.3	177.3	-73.1	-66.7	13.5	0	0	112.4	F183 T184 I190 V191 K192	F183-Q188 HydrophobicContact CB-CG 3.7Å; T184-Q188 WeakPolarHBondContact O-CG 3.38Å; T184-Q188 PolarHBondContact O-N 3.41Å; Q188-I190 VanDerWaalsContact C-N 3.27Å; Q188-I190 PolarHBondContact O-N 2.93Å; Q188-V191 PolarHBondContact O-N 3.21Å; Q188-K192 WeakPolarHBondContact O-CB 3.48Å; Q188-K192 VanDerWaalsContact O-CG 3.31Å; Q188-K192 WeakPolarHBondContact O-CG 3.38Å; Q188-K192 PolarHBondContact O-N 3.32Å
189	K	94.7	Very high	94.2	Very high	149 Å²	149	68.5 Å²	68.5	65%	0.648	34%	0.339	S	S	*	.	H	α-helix	trans	-63.3	-36.2	174	-69.7	169.4	-170.7	169.5	0	111.7	E185 E186 E187 G193	E185-K189 WeakPolarHBondContact O-CG 3.16Å; E185-K189 PolarHBondContact O-N 2.8Å; E186-K189 PolarHBondContact O-N 3.37Å; E187-K189 PolarHBondContact O-N 2.97Å; K189-G193 PolarHBondContact O-N 3.46Å
190	I	96.5	Very high	94.3	Very high	43 Å²	43	68 Å²	68	22%	0.221	34%	0.338	C	S	.	.	H	α-helix	trans	-71.1	-47.7	176	-62.1	167.6	0	0	0	109.9	A160 E161 V164 E187 Q188 K192 G193 L194	A160-I190 HydrophobicContact CB-CD1 3.93Å; E161-I190 HydrophobicContact CB-CG2 4.24Å; E161-I190 HydrophobicContact CG-CG2 3.93Å; V164-I190 HydrophobicContact CB-CG2 4.09Å; V164-I190 HydrophobicContact CG1-CG2 4.13Å; V164-I190 HydrophobicContact CG2-CB 4.13Å; V164-I190 HydrophobicContact CG2-CD1 3.91Å; V164-I190 HydrophobicContact CG2-CG2 4.11Å; E187-I190 CarbonylContact O-C 3.59Å; E187-I190 WeakPolarHBondContact O-CA 3.45Å; E187-I190 WeakPolarHBondContact O-CB 3.34Å; E187-I190 PolarHBondContact O-N 3.39Å; Q188-I190 VanDerWaalsContact C-N 3.27Å; Q188-I190 PolarHBondContact O-N 2.93Å; I190-K192 VanDerWaalsContact C-N 3.32Å; I190-K192 PolarHBondContact O-N 2.87Å; I190-G193 CarbonylContact O-C 3.59Å; I190-G193 WeakPolarHBondContact O-CA 3.31Å; I190-G193 PolarHBondContact O-N 3.47Å; I190-L194 PolarHBondContact O-N 2.87Å
191	V	96.3	Very high	94.5	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-56.4	-45.6	177.9	176.1	0	0	0	0	111	V164 F183 E187 Q188 G193 L194 L196	V164-V191 HydrophobicContact CG1-CG2 3.6Å; F183-V191 HydrophobicContact CD1-CG2 3.93Å; F183-V191 HydrophobicContact CD2-CG2 3.9Å; F183-V191 HydrophobicContact CE1-CG2 3.82Å; F183-V191 HydrophobicContact CE2-CG1 4.43Å; F183-V191 HydrophobicContact CE2-CG2 3.79Å; F183-V191 HydrophobicContact CG-CG2 3.96Å; F183-V191 HydrophobicContact CZ-CG2 3.75Å; E187-V191 WeakPolarHBondContact O-CG2 3.38Å; E187-V191 PolarHBondContact O-N 3Å; Q188-V191 PolarHBondContact O-N 3.21Å; V191-G193 PolarHBondContact O-N 3.41Å; V191-L194 WeakPolarHBondContact O-CB 3.29Å; V191-L194 PolarHBondContact O-N 2.93Å; V191-L196 HydrophobicContact CG1-CD1 4.39Å
192	K	92.4	Very high	94.7	Very high	155 Å²	155	66.6 Å²	66.6	67%	0.674	33%	0.332	S	S	*	.	H	α-helix	trans	-56.9	-37.7	174	-75.5	-178.2	-179	-172.2	0	112.5	Q188 I190 L194 F195	Q188-K192 WeakPolarHBondContact O-CB 3.48Å; Q188-K192 VanDerWaalsContact O-CG 3.31Å; Q188-K192 WeakPolarHBondContact O-CG 3.38Å; Q188-K192 PolarHBondContact O-N 3.32Å; I190-K192 VanDerWaalsContact C-N 3.32Å; I190-K192 PolarHBondContact O-N 2.87Å; K192-L194 PolarHBondContact O-N 3.44Å; K192-F195 PolarHBondContact O-N 3.02Å
193	G	92.6	Very high	95	Very high	43 Å²	43	58.5 Å²	58.5	44%	0.443	29%	0.294	S	S	.	.	H	α-helix	trans	-73	-10.7	176	0	0	0	0	0	115	K189 I190 V191 F195	K189-G193 PolarHBondContact O-N 3.46Å; I190-G193 CarbonylContact O-C 3.59Å; I190-G193 WeakPolarHBondContact O-CA 3.31Å; I190-G193 PolarHBondContact O-N 3.47Å; V191-G193 PolarHBondContact O-N 3.41Å; G193-F195 VanDerWaalsContact O-CD2 3.31Å; G193-F195 WeakPolarHBondContact O-CD2 3.49Å; G193-F195 WeakPolarHBondContact O-CE2 3.19Å
194	L	95.1	Very high	95.2	Very high	28 Å²	28	57.3 Å²	57.3	15%	0.147	29%	0.289	C	S	.	.	H	α-helix	trans	-86.1	-15.6	174.2	-63.5	176.4	0	0	0	112.8	R143 V164 L165 L168 I190 V191 K192 L196	R143-L194 HydrophobicContact CG-CD2 4.09Å; V164-L194 HydrophobicContact CG1-CD1 4.45Å; L165-L194 HydrophobicContact CD2-CD1 3.86Å; L165-L194 HydrophobicContact CD2-CD2 4.3Å; L168-L194 HydrophobicContact CD1-CD1 3.5Å; I190-L194 PolarHBondContact O-N 2.87Å; V191-L194 WeakPolarHBondContact O-CB 3.29Å; V191-L194 PolarHBondContact O-N 2.93Å; K192-L194 PolarHBondContact O-N 3.44Å; L194-L196 VanDerWaalsContact C-N 3.26Å; L194-L196 HydrophobicContact CB-CD1 4.38Å; L194-L196 HydrophobicContact CB-CD2 4.05Å; L194-L196 HydrophobicContact CB-CG 3.83Å; L194-L196 HydrophobicContact CD1-CD1 4.34Å; L194-L196 PolarHBondContact O-N 2.69Å
195	F	92.5	Very high	95.2	Very high	159 Å²	159	53.5 Å²	53.5	70%	0.697	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	43.3	179.9	-55.4	-83.4	0	0	0	113.1	R95 K192 G193	R95-F195 PolarHBondContact NH1-O 3.32Å; K192-F195 PolarHBondContact O-N 3.02Å; G193-F195 VanDerWaalsContact O-CD2 3.31Å; G193-F195 WeakPolarHBondContact O-CD2 3.49Å; G193-F195 WeakPolarHBondContact O-CE2 3.19Å
196	L	95.7	Very high	95.4	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	23%	0.229	C	C	.	.			trans	-68.5	141.8	178.8	-58.7	178.4	0	0	0	110.4	D136 V140 L168 A178 V191 L194 S199	D136-L196 HydrophobicContact CB-CD2 4.14Å; D136-L196 WeakPolarHBondContact OD1-CA 3.42Å; D136-L196 WeakPolarHBondContact OD2-CB 3.37Å; V140-L196 HydrophobicContact CG2-CD2 3.89Å; L168-L196 HydrophobicContact CD1-CD1 3.81Å; L168-L196 HydrophobicContact CD2-CD1 3.67Å; L168-L196 HydrophobicContact CG-CD1 4.4Å; A178-L196 HydrophobicContact CB-CD1 4Å; V191-L196 HydrophobicContact CG1-CD1 4.39Å; L194-L196 VanDerWaalsContact C-N 3.26Å; L194-L196 HydrophobicContact CB-CD1 4.38Å; L194-L196 HydrophobicContact CB-CD2 4.05Å; L194-L196 HydrophobicContact CB-CG 3.83Å; L194-L196 HydrophobicContact CD1-CD1 4.34Å; L194-L196 PolarHBondContact O-N 2.69Å; L196-S199 PolarHBondContact O-OG 3.2Å; L196-S199 VanDerWaalsContact O-OG 3.06Å
197	L	95.2	Very high	95.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-72	-42.8	175.8	-55.2	-179	0	0	0	110.8	L91 I94 R95 L132 A135 D136 S199 K200	L91-L197 HydrophobicContact CB-CD1 4.47Å; L91-L197 HydrophobicContact CD2-CD1 3.52Å; I94-L197 HydrophobicContact CG2-CD2 4.03Å; R95-L197 HydrophobicContact CB-CD2 4.49Å; R95-L197 HydrophobicContact CG-CD2 3.47Å; R95-L197 VanDerWaalsContact CG-CD2 3.47Å; L132-L197 HydrophobicContact CB-CB 4.21Å; L132-L197 HydrophobicContact CD2-CB 4.22Å; L132-L197 HydrophobicContact CD2-CD1 3.99Å; A135-L197 HydrophobicContact CB-CD1 3.92Å; D136-L197 VanDerWaalsContact CG-N 3.29Å; D136-L197 PolarHBondContact OD1-N 2.95Å; D136-L197 PolarHBondContact OD2-N 3.46Å; L197-S199 PolarHBondContact O-N 3.42Å; L197-K200 WeakPolarHBondContact O-CB 3.35Å; L197-K200 WeakPolarHBondContact O-CG 3.45Å; L197-K200 PolarHBondContact O-N 2.9Å; L197-K200 VanDerWaalsContact O-N 3.14Å
198	T	95.6	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.4	-177.3	58.8	0	0	0	0	113.7	L132 V133 D136 A178 R179	L132-T198 HydrophobicContact CB-CG2 3.75Å; V133-T198 HydrophobicContact CB-CG2 4.35Å; V133-T198 HydrophobicContact CG2-CG2 3.66Å; D136-T198 WeakPolarHBondContact OD2-CB 3.3Å; D136-T198 WeakPolarHBondContact OD2-CG2 3.31Å; D136-T198 PolarHBondContact OD2-N 3.17Å; D136-T198 PolarHBondContact OD2-OG1 3.21Å; A178-T198 VanDerWaalsContact CB-OG1 3.26Å; A178-T198 WeakPolarHBondContact CB-OG1 3.29Å; A178-T198 PolarHBondContact N-OG1 2.89Å; A178-T198 VanDerWaalsContact N-OG1 3.15Å; R179-T198 PolarHBondContact N-O 3.38Å; R179-T198 PolarHBondContact NE-O 3.26Å
199	S	94.3	Very high	95.5	Very high	42 Å²	42	36.5 Å²	36.5	29%	0.294	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.1	170.5	69.4	0	0	0	0	113.2	L196 L197	L196-S199 PolarHBondContact O-OG 3.2Å; L196-S199 VanDerWaalsContact O-OG 3.06Å; L197-S199 PolarHBondContact O-N 3.42Å
200	K	94.6	Very high	95.3	Very high	29 Å²	29	34.6 Å²	34.6	13%	0.126	18%	0.181	C	C	.	.	S	Bend	trans	-68.3	141.7	177.2	-62.1	-170.8	-177.4	-150.1	0	109.5	I94 R95 V97 I100 R179 L197	I94-K200 HydrophobicContact CG2-CD 4.45Å; I94-K200 PolarHBondContact O-NZ 3.21Å; R95-K200 PolarHBondContact O-NZ 3.11Å; V97-K200 PolarHBondContact O-NZ 2.81Å; I100-K200 HydrophobicContact CD1-CB 4.2Å; I100-K200 HydrophobicContact CD1-CD 4.49Å; I100-K200 HydrophobicContact CG1-CB 4.48Å; R179-K200 VanDerWaalsContact CZ-O 3.28Å; R179-K200 PolarHBondContact NE-O 3.04Å; R179-K200 VanDerWaalsContact NE-O 3.11Å; R179-K200 PolarHBondContact NH2-O 3.28Å; L197-K200 WeakPolarHBondContact O-CB 3.35Å; L197-K200 WeakPolarHBondContact O-CG 3.45Å; L197-K200 PolarHBondContact O-N 2.9Å; L197-K200 VanDerWaalsContact O-N 3.14Å
201	P	94.8	Very high	94.9	Very high	48 Å²	48	40 Å²	40	31%	0.312	21%	0.21	S	C	.	.			trans	-62.6	144.3	172.7	27.7	-34.7	0	0	0	110.7	D98 A99 I100 L279	D98-P201 WeakPolarHBondContact O-CD 3.16Å; A99-P201 HydrophobicContact CB-CG 3.94Å; I100-P201 PolarHBondContact N-O 3.01Å; P201-L279 HydrophobicContact CB-CD1 3.61Å; P201-L279 HydrophobicContact CB-CD2 4.07Å; P201-L279 HydrophobicContact CB-CG 3.7Å; P201-L279 HydrophobicContact CG-CG 4.21Å
202	V	96.3	Very high	94.5	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.8	178.5	163.7	0	0	0	0	110.4	I100 H102 R179 Y204 S234	I100-V202 HydrophobicContact CB-CG2 3.71Å; I100-V202 HydrophobicContact CD1-CG2 4.26Å; I100-V202 HydrophobicContact CG2-CG2 4.01Å; I100-V202 CarbonylContact O-C 3.55Å; I100-V202 VanDerWaalsContact O-CA 3.29Å; I100-V202 WeakPolarHBondContact O-CA 3.4Å; H102-V202 HydrophobicContact CB-CG1 4.25Å; R179-V202 VanDerWaalsContact NH1-CG2 3.28Å; V202-Y204 HydrophobicContact CG1-CD1 4.39Å; V202-Y204 HydrophobicContact CG1-CD2 3.82Å; V202-Y204 HydrophobicContact CG1-CE1 4.07Å; V202-Y204 HydrophobicContact CG1-CE2 3.44Å; V202-Y204 VanDerWaalsContact CG1-CE2 3.44Å; V202-Y204 HydrophobicContact CG1-CG 4.26Å; V202-S234 WeakPolarHBondContact O-CB 3.33Å
203	L	97.4	Very high	94.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.3	163.5	179.4	57.7	0	0	0	107.8	I100 C101 H102 E235 I237 L272 T275 A276 L279	I100-L203 PolarHBondContact O-N 3.34Å; C101-L203 CarbonylContact C-O 3.47Å; C101-L203 WeakPolarHBondContact CA-O 3.35Å; H102-L203 PolarHBondContact N-O 2.81Å; L203-E235 HydrophobicContact CD1-CB 3.73Å; L203-I237 HydrophobicContact CD1-CG1 4.1Å; L203-I237 HydrophobicContact CD2-CG1 4.46Å; L203-L272 HydrophobicContact CD2-CD1 3.54Å; L203-L272 HydrophobicContact CG-CD1 4.46Å; L203-T275 HydrophobicContact CD1-CG2 3.68Å; L203-T275 HydrophobicContact CD2-CG2 3.87Å; L203-T275 HydrophobicContact CG-CG2 4.43Å; L203-A276 HydrophobicContact CD2-CB 4.41Å; L203-L279 HydrophobicContact CB-CD2 3.83Å
204	Y	98.3	Very high	94.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136	171.2	-70.2	-80.8	0	0	0	110.3	H102 V104 I125 N129 V202 V225 F228 A229 E232 E235 V236 I237	H102-Y204 HydrophobicContact CB-CD1 3.84Å; H102-Y204 HydrophobicContact CB-CE1 3.92Å; H102-Y204 AromaticContact CG-CE1 3.81Å; H102-Y204 AromaticContact ND1-CE1 3.38Å; H102-Y204 WeakPolarHBondContact ND1-CE1 3.3Å; H102-Y204 WeakPolarHBondContact O-CA 3.45Å; V104-Y204 HydrophobicContact CG2-CD1 3.97Å; I125-Y204 HydrophobicContact CB-CE1 4.4Å; I125-Y204 HydrophobicContact CD1-CD1 3.98Å; I125-Y204 HydrophobicContact CD1-CE1 3.87Å; I125-Y204 HydrophobicContact CG1-CD1 4.16Å; I125-Y204 HydrophobicContact CG1-CE1 3.8Å; I125-Y204 HydrophobicContact CG2-CE1 3.68Å; N129-Y204 PolarHBondContact ND2-OH 3.5Å; V202-Y204 HydrophobicContact CG1-CD1 4.39Å; V202-Y204 HydrophobicContact CG1-CD2 3.82Å; V202-Y204 HydrophobicContact CG1-CE1 4.07Å; V202-Y204 HydrophobicContact CG1-CE2 3.44Å; V202-Y204 VanDerWaalsContact CG1-CE2 3.44Å; V202-Y204 HydrophobicContact CG1-CG 4.26Å; Y204-V225 HydrophobicContact CD1-CG1 4.39Å; Y204-V225 HydrophobicContact CG-CG1 4.12Å; Y204-F228 HydrophobicContact CE2-CD1 4.35Å; Y204-F228 HydrophobicContact CE2-CE1 4.42Å; Y204-F228 AromaticContact CZ-CE1 3.9Å; Y204-F228 WeakPolarHBondContact OH-CE1 3.49Å; Y204-A229 HydrophobicContact CD2-CB 3.55Å; Y204-A229 HydrophobicContact CE2-CB 4.04Å; Y204-A229 HydrophobicContact CG-CB 4.42Å; Y204-E232 WeakPolarHBondContact CE2-OE1 3.37Å; Y204-E232 PolarHBondContact OH-OE1 2.89Å; Y204-E235 PolarHBondContact N-O 3.45Å; Y204-V236 CarbonylContact O-C 3.58Å; Y204-V236 VanDerWaalsContact O-CA 3.31Å; Y204-V236 WeakPolarHBondContact O-CA 3.28Å; Y204-I237 PolarHBondContact O-N 2.88Å
205	V	97.8	Very high	94.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	96.3	177.6	-175.3	0	0	0	0	107	L18 C101 H102 V103 V104 N207 I237 V239 L272	L18-V205 HydrophobicContact CD2-CG1 3.9Å; C101-V205 HydrophobicContact CB-CG2 4.35Å; H102-V205 PolarHBondContact O-N 3.45Å; V103-V205 WeakPolarHBondContact CA-O 3.45Å; V103-V205 HydrophobicContact CG2-CB 4.23Å; V104-V205 PolarHBondContact N-O 3.36Å; V205-N207 PolarHBondContact O-N 2.73Å; V205-I237 CarbonylContact C-O 3.43Å; V205-I237 WeakPolarHBondContact CA-O 3.41Å; V205-V239 HydrophobicContact CG1-CB 4.37Å; V205-V239 HydrophobicContact CG1-CG1 3.87Å; V205-V239 HydrophobicContact CG1-CG2 3.48Å; V205-V239 VanDerWaalsContact CG1-CG2 3.48Å; V205-L272 HydrophobicContact CG2-CD1 3.6Å; V205-L272 HydrophobicContact CG2-CD2 4.47Å
206	A	98	Very high	94.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	104.5	177.1	0	0	0	0	0	108.6	C106 V222 V236 I237 V238 V239	C106-A206 HydrophobicContact CB-CB 4.42Å; A206-V222 HydrophobicContact CB-CG2 4.26Å; A206-V236 HydrophobicContact CB-CG1 4.07Å; A206-I237 PolarHBondContact N-O 2.78Å; A206-V238 HydrophobicContact CB-CG2 4.27Å; A206-V238 WeakPolarHBondContact O-CA 3.49Å; A206-V239 PolarHBondContact O-N 3.33Å
207	N	97.6	Very high	94	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.032	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.6	178.5	-172.5	19.8	0	0	0	109.3	V13 V103 V104 C106 F107 V205 V239 A241	V13-N207 PolarHBondContact O-ND2 2.93Å; V103-N207 HydrophobicContact CG1-CB 4.15Å; V104-N207 PolarHBondContact O-N 2.76Å; C106-N207 CarbonylContact C-O 3.59Å; C106-N207 VanDerWaalsContact CA-O 3.25Å; C106-N207 WeakPolarHBondContact CA-O 3.11Å; C106-N207 VanDerWaalsContact CB-O 3.3Å; C106-N207 WeakPolarHBondContact CB-O 3.45Å; C106-N207 PolarHBondContact N-O 3.35Å; F107-N207 VanDerWaalsContact CD1-O 3.3Å; F107-N207 WeakPolarHBondContact CD1-O 3.34Å; V205-N207 PolarHBondContact O-N 2.73Å; N207-V239 CarbonylContact C-O 3.11Å; N207-V239 WeakPolarHBondContact CA-O 3.18Å; N207-V239 HydrophobicContact CB-CG2 4.42Å; N207-V239 PolarHBondContact OD1-O 3.11Å; N207-A241 WeakPolarHBondContact OD1-CB 3.36Å; N207-A241 PolarHBondContact OD1-N 3.36Å
208	V	97	Very high	93.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	23%	0.226	C	C	.	.			trans	-113.5	173.2	-178.6	-63	0	0	0	0	111	C106 V213 V222 V238 V239 C240	C106-V208 HydrophobicContact CB-CG1 3.79Å; V208-V213 HydrophobicContact CG2-CB 3.92Å; V208-V213 HydrophobicContact CG2-CG2 4.12Å; V208-V222 HydrophobicContact CG1-CG2 3.45Å; V208-V222 VanDerWaalsContact CG1-CG2 3.45Å; V208-V238 HydrophobicContact CB-CG1 4.35Å; V208-V238 HydrophobicContact CG1-CG1 3.76Å; V208-V238 HydrophobicContact CG2-CG1 3.59Å; V208-V239 WeakPolarHBondContact CG2-O 3.35Å; V208-V239 PolarHBondContact N-O 3.05Å; V208-C240 PolarHBondContact O-SG 2.83Å
209	D	93.4	Very high	93.8	Very high	53 Å²	53	40 Å²	40	28%	0.283	23%	0.23	S	C	.	.			trans	-79.7	168.8	168.7	56.1	39	0	0	0	111.4	F107 D211 T212 V213	F107-D209 HydrophobicContact CB-CB 4.02Å; D209-D211 VanDerWaalsContact C-N 3.33Å; D209-D211 PolarHBondContact O-N 3.32Å; D209-T212 PolarHBondContact O-N 2.77Å; D209-T212 WeakPolarHBondContact OD1-CB 3.48Å; D209-T212 PolarHBondContact OD1-N 3.16Å; D209-T212 PolarHBondContact OD1-OG1 3.31Å; D209-V213 PolarHBondContact O-N 3.37Å
210	E	89.6	Confident	93.9	Very high	109 Å²	109	45.6 Å²	45.6	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-40.1	-177.4	-157.9	-174.3	153.8	0	0	112.2	T212 V213 M262	E210-T212 PolarHBondContact O-N 2.83Å; E210-V213 WeakPolarHBondContact O-CG1 3.11Å; E210-V213 PolarHBondContact O-N 2.9Å; E210-M262 HydrophobicContact CG-CE 3.72Å
211	D	87.7	Confident	94	Very high	155 Å²	155	47 Å²	47	83%	0.829	26%	0.257	S	S	*	.	H	α-helix	trans	-64.8	-28.3	-178.9	-70.7	-37.3	0	0	0	112.3	D209	D209-D211 VanDerWaalsContact C-N 3.33Å; D209-D211 PolarHBondContact O-N 3.32Å
212	T	89.3	Confident	94.2	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-99	-14.5	-173.5	-50.9	0	0	0	0	113.8	D209 E210 A214 D215 N219	D209-T212 PolarHBondContact O-N 2.77Å; D209-T212 WeakPolarHBondContact OD1-CB 3.48Å; D209-T212 PolarHBondContact OD1-N 3.16Å; D209-T212 PolarHBondContact OD1-OG1 3.31Å; E210-T212 PolarHBondContact O-N 2.83Å; T212-A214 VanDerWaalsContact C-N 3.27Å; T212-A214 PolarHBondContact O-N 3.47Å; T212-D215 CarbonylContact O-C 3.42Å; T212-D215 PolarHBondContact O-N 3Å; T212-D215 VanDerWaalsContact O-N 3.16Å; T212-N219 HydrophobicContact CG2-CB 3.48Å; T212-N219 VanDerWaalsContact CG2-CB 3.48Å; T212-N219 WeakPolarHBondContact CG2-ND2 3.47Å
213	V	89.5	Confident	94.2	Very high	15 Å²	15	47.5 Å²	47.5	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-31.3	-174.2	76.8	0	0	0	0	113.2	V208 D209 E210 C240 M262 I264	V208-V213 HydrophobicContact CG2-CB 3.92Å; V208-V213 HydrophobicContact CG2-CG2 4.12Å; D209-V213 PolarHBondContact O-N 3.37Å; E210-V213 WeakPolarHBondContact O-CG1 3.11Å; E210-V213 PolarHBondContact O-N 2.9Å; V213-C240 HydrophobicContact CB-CB 4.06Å; V213-C240 HydrophobicContact CG2-CB 3.98Å; V213-M262 HydrophobicContact CG1-CE 3.52Å; V213-I264 HydrophobicContact CG1-CG2 4.18Å
214	A	90	Very high	94.3	Very high	52 Å²	52	49.9 Å²	49.9	43%	0.43	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-23.2	178.1	0	0	0	0	0	113.7	T212 M262 I264	T212-A214 VanDerWaalsContact C-N 3.27Å; T212-A214 PolarHBondContact O-N 3.47Å; A214-M262 VanDerWaalsContact CB-O 3.31Å; A214-M262 WeakPolarHBondContact CB-O 3.29Å; A214-I264 HydrophobicContact CB-CG2 4.24Å
215	D	91.9	Very high	94.3	Very high	86 Å²	86	49.9 Å²	49.9	46%	0.46	27%	0.27	S	S	.	.			trans	-132.2	69.2	175.2	-174.8	8.6	0	0	0	110.5	T212 D217 S218	T212-D215 CarbonylContact O-C 3.42Å; T212-D215 PolarHBondContact O-N 3Å; T212-D215 VanDerWaalsContact O-N 3.16Å; D215-D217 PolarHBondContact O-N 2.99Å; D215-D217 VanDerWaalsContact O-N 3.11Å; D215-D217 PolarHBondContact OD1-N 3.43Å; D215-S218 WeakPolarHBondContact O-CB 3.45Å; D215-S218 PolarHBondContact O-N 2.8Å; D215-S218 VanDerWaalsContact O-N 3.14Å; D215-S218 PolarHBondContact O-OG 2.98Å; D215-S218 PolarHBondContact OD1-N 3.09Å
216	P	91.9	Very high	94.2	Very high	24 Å²	24	53.5 Å²	53.5	16%	0.156	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66.9	-14.8	-178	29.6	-36.9	0	0	0	112.5	S218 N219 V222 V238	P216-S218 VanDerWaalsContact C-N 3.28Å; P216-N219 PolarHBondContact O-N 3.48Å; P216-V222 HydrophobicContact CB-CG1 4.31Å; P216-V238 HydrophobicContact CB-CB 4.19Å; P216-V238 HydrophobicContact CB-CG1 3.92Å; P216-V238 HydrophobicContact CB-CG2 3.89Å
217	D	93.1	Very high	94.2	Very high	102 Å²	102	58.9 Å²	58.9	55%	0.545	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-71.9	-25.1	177.2	-74.7	-29.8	0	0	0	112.7	D215 N219 Q223 R226	D215-D217 PolarHBondContact O-N 2.99Å; D215-D217 VanDerWaalsContact O-N 3.11Å; D215-D217 PolarHBondContact OD1-N 3.43Å; D217-N219 PolarHBondContact O-N 2.81Å; D217-Q223 PolarHBondContact OD1-NE2 3.39Å; D217-R226 IonicContact OD1-CZ 3.15Å; D217-R226 IonicContact OD1-NH1 2.67Å; D217-R226 PolarHBondContact OD1-NH1 2.79Å; D217-R226 IonicContact OD1-NH2 2.67Å
218	S	92.4	Very high	94	Very high	75 Å²	75	60.5 Å²	60.5	52%	0.524	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-71.3	-16.6	174.4	72.6	0	0	0	0	113.9	D215 P216	D215-S218 WeakPolarHBondContact O-CB 3.45Å; D215-S218 PolarHBondContact O-N 2.8Å; D215-S218 VanDerWaalsContact O-N 3.14Å; D215-S218 PolarHBondContact O-OG 2.98Å; D215-S218 PolarHBondContact OD1-N 3.09Å; P216-S218 VanDerWaalsContact C-N 3.28Å
219	N	94.7	Very high	94	Very high	18 Å²	18	60.4 Å²	60.4	10%	0.096	32%	0.319	C	S	.	.			trans	-92.2	115.1	-173.3	-163.8	-48.4	0	0	0	112.9	C106 T212 P216 D217 Y221 V222 Q223	C106-N219 PolarHBondContact O-ND2 2.55Å; T212-N219 HydrophobicContact CG2-CB 3.48Å; T212-N219 VanDerWaalsContact CG2-CB 3.48Å; T212-N219 WeakPolarHBondContact CG2-ND2 3.47Å; P216-N219 PolarHBondContact O-N 3.48Å; D217-N219 PolarHBondContact O-N 2.81Å; N219-Y221 VanDerWaalsContact C-N 3.26Å; N219-Y221 PolarHBondContact O-N 2.95Å; N219-Y221 WeakPolarHBondContact OD1-CA 3.4Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.3Å; N219-Y221 PolarHBondContact OD1-N 3.47Å; N219-V222 HydrophobicContact CB-CB 4Å; N219-V222 HydrophobicContact CB-CG2 3.7Å; N219-V222 PolarHBondContact O-N 3.29Å; N219-V222 PolarHBondContact OD1-N 3.12Å; N219-Q223 WeakPolarHBondContact O-CG 3.29Å; N219-Q223 PolarHBondContact O-N 2.91Å; N219-Q223 VanDerWaalsContact O-N 3.12Å
220	E	95.9	Very high	93.9	Very high	161 Å²	161	61 Å²	61	75%	0.752	33%	0.331	S	S	*	.	H	α-helix	trans	-62.1	-31.8	178.9	-63.1	-171.1	169.4	0	0	113.3	Q223 T224	E220-Q223 PolarHBondContact O-N 2.76Å; E220-T224 WeakPolarHBondContact O-CB 3.47Å; E220-T224 PolarHBondContact O-N 3.14Å; E220-T224 PolarHBondContact O-OG1 3.44Å
221	Y	97.9	Very high	93.8	Very high	59 Å²	59	59.7 Å²	59.7	23%	0.231	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-44.9	176	-58.4	-42.1	0	0	0	111.1	D108 V119 P121 N219 Q223 T224 V225	D108-Y221 PolarHBondContact OD1-OH 3.14Å; D108-Y221 VanDerWaalsContact OD2-CE2 3.3Å; D108-Y221 WeakPolarHBondContact OD2-CE2 3.39Å; D108-Y221 PolarHBondContact OD2-OH 2.99Å; V119-Y221 HydrophobicContact CG1-CE2 4.43Å; P121-Y221 HydrophobicContact CG-CD1 3.69Å; P121-Y221 HydrophobicContact CG-CG 3.84Å; N219-Y221 VanDerWaalsContact C-N 3.26Å; N219-Y221 PolarHBondContact O-N 2.95Å; N219-Y221 WeakPolarHBondContact OD1-CA 3.4Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.3Å; N219-Y221 PolarHBondContact OD1-N 3.47Å; Y221-Q223 VanDerWaalsContact C-N 3.34Å; Y221-Q223 PolarHBondContact O-N 3.3Å; Y221-T224 WeakPolarHBondContact O-CB 3.37Å; Y221-T224 PolarHBondContact O-N 2.99Å; Y221-T224 VanDerWaalsContact O-N 3.14Å; Y221-V225 WeakPolarHBondContact O-CG2 3.42Å; Y221-V225 PolarHBondContact O-N 3.47Å
222	V	97.8	Very high	93.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-43.8	176.7	176	0	0	0	0	110.8	C106 A206 V208 P216 N219 T224 V225 R226 V238	C106-V222 HydrophobicContact CB-CG2 4.15Å; A206-V222 HydrophobicContact CB-CG2 4.26Å; V208-V222 HydrophobicContact CG1-CG2 3.45Å; V208-V222 VanDerWaalsContact CG1-CG2 3.45Å; P216-V222 HydrophobicContact CB-CG1 4.31Å; N219-V222 HydrophobicContact CB-CB 4Å; N219-V222 HydrophobicContact CB-CG2 3.7Å; N219-V222 PolarHBondContact O-N 3.29Å; N219-V222 PolarHBondContact OD1-N 3.12Å; V222-T224 VanDerWaalsContact C-N 3.28Å; V222-T224 PolarHBondContact O-N 3.12Å; V222-V225 PolarHBondContact O-N 3.28Å; V222-R226 HydrophobicContact CG1-CG 4.33Å; V222-R226 WeakPolarHBondContact O-CG 3.38Å; V222-R226 PolarHBondContact O-N 2.94Å; V222-V238 HydrophobicContact CG1-CG2 3.7Å; V222-V238 HydrophobicContact CG2-CG1 4.42Å; V222-V238 HydrophobicContact CG2-CG2 4.45Å
223	Q	97.6	Very high	93.7	Very high	61 Å²	61	59.4 Å²	59.4	29%	0.285	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-38.8	176.4	-62.5	-54.1	-48.4	0	0	111.7	D217 N219 E220 Y221 R226 N227	D217-Q223 PolarHBondContact OD1-NE2 3.39Å; N219-Q223 WeakPolarHBondContact O-CG 3.29Å; N219-Q223 PolarHBondContact O-N 2.91Å; N219-Q223 VanDerWaalsContact O-N 3.12Å; E220-Q223 PolarHBondContact O-N 2.76Å; Y221-Q223 VanDerWaalsContact C-N 3.34Å; Y221-Q223 PolarHBondContact O-N 3.3Å; Q223-R226 PolarHBondContact O-N 2.62Å; Q223-N227 WeakPolarHBondContact O-CB 3.34Å; Q223-N227 PolarHBondContact O-N 2.9Å; Q223-N227 PolarHBondContact O-ND2 3.18Å
224	T	98	Very high	93.9	Very high	50 Å²	50	59.5 Å²	59.5	31%	0.307	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-47.6	175.5	-60	0	0	0	0	111.3	L122 E220 Y221 V222 N227 F228	L122-T224 HydrophobicContact CB-CG2 3.89Å; E220-T224 WeakPolarHBondContact O-CB 3.47Å; E220-T224 PolarHBondContact O-N 3.14Å; E220-T224 PolarHBondContact O-OG1 3.44Å; Y221-T224 WeakPolarHBondContact O-CB 3.37Å; Y221-T224 PolarHBondContact O-N 2.99Å; Y221-T224 VanDerWaalsContact O-N 3.14Å; V222-T224 VanDerWaalsContact C-N 3.28Å; V222-T224 PolarHBondContact O-N 3.12Å; T224-N227 PolarHBondContact O-N 3.25Å; T224-F228 PolarHBondContact O-N 3.18Å
225	V	98.3	Very high	94.2	Very high	1 Å²	1	62 Å²	62	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-44.4	177.3	178.2	0	0	0	0	111.4	V104 P121 I125 Y204 Y221 V222 N227 F228 A229 V236	V104-V225 HydrophobicContact CB-CG2 4.34Å; V104-V225 HydrophobicContact CG1-CG2 3.98Å; P121-V225 HydrophobicContact CB-CG2 3.65Å; I125-V225 HydrophobicContact CD1-CG1 4.2Å; I125-V225 HydrophobicContact CD1-CG2 4.1Å; Y204-V225 HydrophobicContact CD1-CG1 4.39Å; Y204-V225 HydrophobicContact CG-CG1 4.12Å; Y221-V225 WeakPolarHBondContact O-CG2 3.42Å; Y221-V225 PolarHBondContact O-N 3.47Å; V222-V225 PolarHBondContact O-N 3.28Å; V225-N227 PolarHBondContact O-N 2.99Å; V225-F228 PolarHBondContact O-N 3.01Å; V225-A229 VanDerWaalsContact O-CB 3.29Å; V225-A229 WeakPolarHBondContact O-CB 3.47Å; V225-A229 PolarHBondContact O-N 2.64Å; V225-V236 HydrophobicContact CG1-CG1 3.94Å; V225-V236 HydrophobicContact CG1-CG2 4.11Å
226	R	97.7	Very high	94.4	Very high	75 Å²	75	59.3 Å²	59.3	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-43.1	177.5	-72.9	177.1	-179.9	176.3	3.8	112.8	D217 V222 Q223 F228 A229 A230 V236	D217-R226 IonicContact OD1-CZ 3.15Å; D217-R226 IonicContact OD1-NH1 2.67Å; D217-R226 PolarHBondContact OD1-NH1 2.79Å; D217-R226 IonicContact OD1-NH2 2.67Å; V222-R226 HydrophobicContact CG1-CG 4.33Å; V222-R226 WeakPolarHBondContact O-CG 3.38Å; V222-R226 PolarHBondContact O-N 2.94Å; Q223-R226 PolarHBondContact O-N 2.62Å; R226-F228 VanDerWaalsContact C-N 3.35Å; R226-A229 PolarHBondContact O-N 3.09Å; R226-A230 VanDerWaalsContact O-CB 3.29Å; R226-A230 WeakPolarHBondContact O-CB 3.29Å; R226-A230 PolarHBondContact O-N 3.15Å; R226-V236 HydrophobicContact CB-CG2 4.42Å; R226-V236 HydrophobicContact CG-CB 4Å; R226-V236 HydrophobicContact CG-CG1 4.16Å; R226-V236 HydrophobicContact CG-CG2 3.92Å
227	N	96.4	Very high	94.6	Very high	113 Å²	113	59 Å²	59	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-63.1	-42.7	177	-72.4	-32	0	0	0	111.6	Q223 T224 V225 S231	Q223-N227 WeakPolarHBondContact O-CB 3.34Å; Q223-N227 PolarHBondContact O-N 2.9Å; Q223-N227 PolarHBondContact O-ND2 3.18Å; T224-N227 PolarHBondContact O-N 3.25Å; V225-N227 PolarHBondContact O-N 2.99Å; N227-S231 PolarHBondContact O-N 2.83Å
228	F	95.1	Very high	94.8	Very high	41 Å²	41	55 Å²	55	18%	0.18	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-50.8	175.9	-178.6	-94	0	0	0	111.7	L122 I125 Y204 T224 V225 R226 A230 S231 E232	L122-F228 HydrophobicContact CD1-CB 4.17Å; L122-F228 HydrophobicContact CD1-CD2 3.42Å; L122-F228 VanDerWaalsContact CD1-CD2 3.42Å; L122-F228 HydrophobicContact CD1-CE2 4.07Å; L122-F228 HydrophobicContact CD1-CG 3.95Å; I125-F228 HydrophobicContact CD1-CD1 4.16Å; I125-F228 HydrophobicContact CG2-CD1 3.7Å; I125-F228 HydrophobicContact CG2-CE1 3.26Å; I125-F228 HydrophobicContact CG2-CZ 3.77Å; Y204-F228 HydrophobicContact CE2-CD1 4.35Å; Y204-F228 HydrophobicContact CE2-CE1 4.42Å; Y204-F228 AromaticContact CZ-CE1 3.9Å; Y204-F228 WeakPolarHBondContact OH-CE1 3.49Å; T224-F228 PolarHBondContact O-N 3.18Å; V225-F228 PolarHBondContact O-N 3.01Å; R226-F228 VanDerWaalsContact C-N 3.35Å; F228-A230 VanDerWaalsContact C-N 3.31Å; F228-A230 PolarHBondContact O-N 2.85Å; F228-S231 WeakPolarHBondContact O-CB 3.39Å; F228-S231 PolarHBondContact O-N 2.89Å; F228-S231 PolarHBondContact O-OG 3.22Å; F228-E232 WeakPolarHBondContact CE1-OE1 3.44Å
229	A	95	Very high	95	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-41.7	-179.1	0	0	0	0	0	112.2	Y204 V225 R226 S231 E232 H233 S234 V236	Y204-A229 HydrophobicContact CD2-CB 3.55Å; Y204-A229 HydrophobicContact CE2-CB 4.04Å; Y204-A229 HydrophobicContact CG-CB 4.42Å; V225-A229 VanDerWaalsContact O-CB 3.29Å; V225-A229 WeakPolarHBondContact O-CB 3.47Å; V225-A229 PolarHBondContact O-N 2.64Å; R226-A229 PolarHBondContact O-N 3.09Å; A229-S231 VanDerWaalsContact C-N 3.26Å; A229-S231 PolarHBondContact O-N 2.87Å; A229-E232 CarbonylContact O-C 3.56Å; A229-E232 PolarHBondContact O-N 2.8Å; A229-E232 VanDerWaalsContact O-N 3.13Å; A229-H233 PolarHBondContact O-N 2.87Å; A229-H233 VanDerWaalsContact O-N 3.09Å; A229-S234 CarbonylContact C-O 3.58Å; A229-S234 WeakPolarHBondContact CB-O 3.47Å; A229-S234 PolarHBondContact O-N 3.2Å; A229-V236 HydrophobicContact CB-CG2 3.35Å
230	A	92.8	Very high	95	Very high	66 Å²	66	50.7 Å²	50.7	55%	0.545	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-34.1	175.5	0	0	0	0	0	112.8	R226 F228 E232 H233	R226-A230 VanDerWaalsContact O-CB 3.29Å; R226-A230 WeakPolarHBondContact O-CB 3.29Å; R226-A230 PolarHBondContact O-N 3.15Å; F228-A230 VanDerWaalsContact C-N 3.31Å; F228-A230 PolarHBondContact O-N 2.85Å; A230-E232 PolarHBondContact O-N 2.67Å; A230-H233 PolarHBondContact O-N 3.36Å
231	S	88.1	Confident	94.8	Very high	81 Å²	81	43.1 Å²	43.1	57%	0.566	23%	0.229	S	C	*	.	H	α-helix	trans	-67.5	-19.4	178.6	81.2	0	0	0	0	113.8	N227 F228 A229	N227-S231 PolarHBondContact O-N 2.83Å; F228-S231 WeakPolarHBondContact O-CB 3.39Å; F228-S231 PolarHBondContact O-N 2.89Å; F228-S231 PolarHBondContact O-OG 3.22Å; A229-S231 VanDerWaalsContact C-N 3.26Å; A229-S231 PolarHBondContact O-N 2.87Å
232	E	86.7	Confident	94.5	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.033	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	21.8	176.2	65	168.6	162.7	0	0	113.3	R179 T180 Y204 F228 A229 A230 S234	R179-E232 VanDerWaalsContact CD-OE2 3.27Å; R179-E232 WeakPolarHBondContact CD-OE2 3.43Å; R179-E232 HydrophobicContact CG-CB 4.4Å; R179-E232 IonicContact CZ-OE2 2.83Å; R179-E232 IonicContact NE-OE2 2.96Å; R179-E232 IonicContact NH1-OE1 3.47Å; R179-E232 IonicContact NH1-OE2 3.32Å; R179-E232 PolarHBondContact NH1-OE2 3.18Å; T180-E232 HydrophobicContact CG2-CB 4.19Å; Y204-E232 WeakPolarHBondContact CE2-OE1 3.37Å; Y204-E232 PolarHBondContact OH-OE1 2.89Å; F228-E232 WeakPolarHBondContact CE1-OE1 3.44Å; A229-E232 CarbonylContact O-C 3.56Å; A229-E232 PolarHBondContact O-N 2.8Å; A229-E232 VanDerWaalsContact O-N 3.13Å; A230-E232 PolarHBondContact O-N 2.67Å; E232-S234 PolarHBondContact O-N 2.67Å; E232-S234 PolarHBondContact O-OG 3.05Å
233	H	87.7	Confident	94.3	Very high	161 Å²	161	45.7 Å²	45.7	75%	0.745	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	36.3	176.9	-50.5	-67.6	0	0	0	114.1	A229 A230	A229-H233 PolarHBondContact O-N 2.87Å; A229-H233 VanDerWaalsContact O-N 3.09Å; A230-H233 PolarHBondContact O-N 3.36Å
234	S	94	Very high	94	Very high	17 Å²	17	42.9 Å²	42.9	12%	0.119	23%	0.23	C	C	.	.			trans	-105.7	150.5	176.7	-61.2	0	0	0	0	110.8	V202 A229 E232	V202-S234 WeakPolarHBondContact O-CB 3.33Å; A229-S234 CarbonylContact C-O 3.58Å; A229-S234 WeakPolarHBondContact CB-O 3.47Å; A229-S234 PolarHBondContact O-N 3.2Å; E232-S234 PolarHBondContact O-N 2.67Å; E232-S234 PolarHBondContact O-OG 3.05Å
235	E	95.4	Very high	93.7	Very high	103 Å²	103	43.1 Å²	43.1	48%	0.481	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	161.4	176.8	-69.5	-179.4	-102.4	0	0	111.2	L203 Y204 T275	L203-E235 HydrophobicContact CD1-CB 3.73Å; Y204-E235 PolarHBondContact N-O 3.45Å; E235-T275 HydrophobicContact CB-CG2 4.49Å
236	V	97.2	Very high	93.3	Very high	31 Å²	31	48.1 Å²	48.1	19%	0.188	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.9	174.8	-171.7	0	0	0	0	109	Y204 A206 V225 R226 A229	Y204-V236 CarbonylContact O-C 3.58Å; Y204-V236 VanDerWaalsContact O-CA 3.31Å; Y204-V236 WeakPolarHBondContact O-CA 3.28Å; A206-V236 HydrophobicContact CB-CG1 4.07Å; V225-V236 HydrophobicContact CG1-CG1 3.94Å; V225-V236 HydrophobicContact CG1-CG2 4.11Å; R226-V236 HydrophobicContact CB-CG2 4.42Å; R226-V236 HydrophobicContact CG-CB 4Å; R226-V236 HydrophobicContact CG-CG1 4.16Å; R226-V236 HydrophobicContact CG-CG2 3.92Å; A229-V236 HydrophobicContact CB-CG2 3.35Å
237	I	95.8	Very high	92.9	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.082	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.9	164.6	-66.2	-61.6	0	0	0	108.2	L203 Y204 V205 A206 V239 Q271	L203-I237 HydrophobicContact CD1-CG1 4.1Å; L203-I237 HydrophobicContact CD2-CG1 4.46Å; Y204-I237 PolarHBondContact O-N 2.88Å; V205-I237 CarbonylContact C-O 3.43Å; V205-I237 WeakPolarHBondContact CA-O 3.41Å; A206-I237 PolarHBondContact N-O 2.78Å; I237-V239 HydrophobicContact CG2-CG1 3.81Å; I237-Q271 HydrophobicContact CD1-CB 4.11Å; I237-Q271 HydrophobicContact CG2-CB 4.19Å
238	V	96.4	Very high	92.5	Very high	19 Å²	19	40.7 Å²	40.7	12%	0.115	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.2	174.9	-174.8	0	0	0	0	107.9	A206 V208 P216 V222	A206-V238 HydrophobicContact CB-CG2 4.27Å; A206-V238 WeakPolarHBondContact O-CA 3.49Å; V208-V238 HydrophobicContact CB-CG1 4.35Å; V208-V238 HydrophobicContact CG1-CG1 3.76Å; V208-V238 HydrophobicContact CG2-CG1 3.59Å; P216-V238 HydrophobicContact CB-CB 4.19Å; P216-V238 HydrophobicContact CB-CG1 3.92Å; P216-V238 HydrophobicContact CB-CG2 3.89Å; V222-V238 HydrophobicContact CG1-CG2 3.7Å; V222-V238 HydrophobicContact CG2-CG1 4.42Å; V222-V238 HydrophobicContact CG2-CG2 4.45Å
239	V	95.9	Very high	92	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.8	-179.7	-52.5	0	0	0	0	109.2	L18 V205 A206 N207 V208 I237 E244	L18-V239 HydrophobicContact CD1-CG2 4.26Å; V205-V239 HydrophobicContact CG1-CB 4.37Å; V205-V239 HydrophobicContact CG1-CG1 3.87Å; V205-V239 HydrophobicContact CG1-CG2 3.48Å; V205-V239 VanDerWaalsContact CG1-CG2 3.48Å; A206-V239 PolarHBondContact O-N 3.33Å; N207-V239 CarbonylContact C-O 3.11Å; N207-V239 WeakPolarHBondContact CA-O 3.18Å; N207-V239 HydrophobicContact CB-CG2 4.42Å; N207-V239 PolarHBondContact OD1-O 3.11Å; V208-V239 WeakPolarHBondContact CG2-O 3.35Å; V208-V239 PolarHBondContact N-O 3.05Å; I237-V239 HydrophobicContact CG2-CG1 3.81Å; V239-E244 HydrophobicContact CB-CG 4.38Å
240	C	95	Very high	91.8	Very high	2 Å²	2	48 Å²	48	1%	0.014	26%	0.257	C	S	.	.			trans	-108.9	100.7	161	178.2	0	0	0	0	107.7	V208 V213 E242 A243 E244	V208-C240 PolarHBondContact O-SG 2.83Å; V213-C240 HydrophobicContact CB-CB 4.06Å; V213-C240 HydrophobicContact CG2-CB 3.98Å; C240-E242 PolarHBondContact O-N 3.44Å; C240-E242 VanDerWaalsContact O-N 3.13Å; C240-A243 HydrophobicContact CB-CB 3.89Å; C240-A243 PolarHBondContact O-N 2.91Å; C240-A243 VanDerWaalsContact O-N 3.07Å; C240-E244 WeakPolarHBondContact O-CG 3.28Å; C240-E244 PolarHBondContact O-N 2.86Å
241	A	93.1	Very high	91.5	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-31	-171.4	0	0	0	0	0	113.4	T17 L18 N207 E245	T17-A241 HydrophobicContact CG2-CB 4.09Å; T17-A241 VanDerWaalsContact CG2-O 3.25Å; T17-A241 WeakPolarHBondContact CG2-O 3.34Å; L18-A241 HydrophobicContact CB-CB 4.24Å; N207-A241 WeakPolarHBondContact OD1-CB 3.36Å; N207-A241 PolarHBondContact OD1-N 3.36Å; A241-E245 PolarHBondContact O-N 3.07Å; A241-E245 VanDerWaalsContact O-N 3.15Å
242	E	91.2	Very high	91.3	Very high	111 Å²	111	52.2 Å²	52.2	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-67	-49.6	175.2	-65.6	-177.3	171.9	0	0	110.8	C240 E244 E245 E246	C240-E242 PolarHBondContact O-N 3.44Å; C240-E242 VanDerWaalsContact O-N 3.13Å; E242-E244 VanDerWaalsContact C-N 3.34Å; E242-E244 PolarHBondContact O-N 3.37Å; E242-E245 PolarHBondContact O-N 3.19Å; E242-E245 VanDerWaalsContact O-N 3.16Å; E242-E246 PolarHBondContact O-N 3.1Å
243	A	92.8	Very high	91.4	Very high	3 Å²	3	58.6 Å²	58.6	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-40.1	175.1	0	0	0	0	0	112.4	C240 E245 E246 I247 F258 M262	C240-A243 HydrophobicContact CB-CB 3.89Å; C240-A243 PolarHBondContact O-N 2.91Å; C240-A243 VanDerWaalsContact O-N 3.07Å; A243-E245 VanDerWaalsContact C-N 3.26Å; A243-E245 PolarHBondContact O-N 2.72Å; A243-E246 PolarHBondContact O-N 3.3Å; A243-I247 WeakPolarHBondContact O-CB 3.39Å; A243-I247 WeakPolarHBondContact O-CD1 3.36Å; A243-I247 VanDerWaalsContact O-CG1 3.23Å; A243-I247 WeakPolarHBondContact O-CG1 3.49Å; A243-I247 PolarHBondContact O-N 3.37Å; A243-F258 HydrophobicContact CB-CE1 4.36Å; A243-M262 HydrophobicContact CB-CE 3.48Å; A243-M262 VanDerWaalsContact CB-CE 3.48Å; A243-M262 HydrophobicContact CB-SD 4.05Å
244	E	92.8	Very high	91.6	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-33.6	176.6	-62.9	-51.5	155	0	0	112.3	A21 V239 C240 E242 A248 S267 G268 L269	A21-E244 HydrophobicContact CB-CB 3.97Å; V239-E244 HydrophobicContact CB-CG 4.38Å; C240-E244 WeakPolarHBondContact O-CG 3.28Å; C240-E244 PolarHBondContact O-N 2.86Å; E242-E244 VanDerWaalsContact C-N 3.34Å; E242-E244 PolarHBondContact O-N 3.37Å; E244-A248 VanDerWaalsContact O-CB 3.3Å; E244-A248 WeakPolarHBondContact O-CB 3.3Å; E244-A248 PolarHBondContact O-N 2.83Å; E244-S267 WeakPolarHBondContact OE2-CB 3.46Å; E244-G268 WeakPolarHBondContact OE1-CA 3.32Å; E244-G268 PolarHBondContact OE1-N 3.19Å; E244-L269 HydrophobicContact CG-CB 4.35Å; E244-L269 PolarHBondContact OE1-N 2.87Å; E244-L269 VanDerWaalsContact OE2-CB 3.22Å; E244-L269 WeakPolarHBondContact OE2-CB 3.22Å; E244-L269 PolarHBondContact OE2-N 2.92Å
245	E	89.8	Confident	91.4	Very high	54 Å²	54	56 Å²	56	25%	0.252	28%	0.281	S	S	.	.	H	α-helix	trans	-69.2	-36.6	176.4	-175.9	168.4	-150.5	0	0	111.9	T17 A21 K24 A241 E242 A243	T17-E245 HydrophobicContact CG2-CB 4.09Å; T17-E245 WeakPolarHBondContact CG2-OE2 3.19Å; A21-E245 HydrophobicContact CB-CB 4.43Å; K24-E245 VanDerWaalsContact NZ-CG 3.26Å; K24-E245 IonicContact NZ-OE1 2.68Å; K24-E245 PolarHBondContact NZ-OE1 3.12Å; A241-E245 PolarHBondContact O-N 3.07Å; A241-E245 VanDerWaalsContact O-N 3.15Å; E242-E245 PolarHBondContact O-N 3.19Å; E242-E245 VanDerWaalsContact O-N 3.16Å; A243-E245 VanDerWaalsContact C-N 3.26Å; A243-E245 PolarHBondContact O-N 2.72Å
246	E	90.9	Very high	91.1	Very high	107 Å²	107	53.8 Å²	53.8	50%	0.5	28%	0.281	S	S	.	.	H	α-helix	trans	-69.2	-48.6	173.6	-65.3	-172.2	-166.6	0	0	111.2	E242 A243 A248 E249 F258	E242-E246 PolarHBondContact O-N 3.1Å; A243-E246 PolarHBondContact O-N 3.3Å; E246-A248 PolarHBondContact O-N 2.82Å; E246-E249 PolarHBondContact O-N 2.99Å; E246-F258 HydrophobicContact CB-CZ 4.28Å
247	I	90	Very high	90.9	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-55.1	-39	177.4	-71.1	162.1	0	0	0	111.3	A243 E249 L250 K255 F258 L259 M262	A243-I247 WeakPolarHBondContact O-CB 3.39Å; A243-I247 WeakPolarHBondContact O-CD1 3.36Å; A243-I247 VanDerWaalsContact O-CG1 3.23Å; A243-I247 WeakPolarHBondContact O-CG1 3.49Å; A243-I247 PolarHBondContact O-N 3.37Å; I247-E249 PolarHBondContact O-N 3.26Å; I247-L250 PolarHBondContact O-N 2.84Å; I247-K255 HydrophobicContact CG2-CD 3.92Å; I247-K255 HydrophobicContact CG2-CG 3.92Å; I247-F258 HydrophobicContact CD1-CD1 3.98Å; I247-F258 HydrophobicContact CD1-CE1 4.01Å; I247-F258 HydrophobicContact CG1-CD1 3.49Å; I247-F258 VanDerWaalsContact CG1-CD1 3.49Å; I247-F258 HydrophobicContact CG1-CE1 3.66Å; I247-F258 HydrophobicContact CG1-CG 4.47Å; I247-L259 HydrophobicContact CD1-CD2 3.79Å; I247-M262 HydrophobicContact CD1-SD 4.47Å
248	A	86.9	Confident	90.6	Very high	24 Å²	24	59.6 Å²	59.6	20%	0.198	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.4	179.4	0	0	0	0	0	114.2	A21 K24 E244 E246	A21-A248 HydrophobicContact CB-CB 4.39Å; K24-A248 HydrophobicContact CB-CB 3.99Å; E244-A248 VanDerWaalsContact O-CB 3.3Å; E244-A248 WeakPolarHBondContact O-CB 3.3Å; E244-A248 PolarHBondContact O-N 2.83Å; E246-A248 PolarHBondContact O-N 2.82Å
249	E	85.8	Confident	90.4	Very high	138 Å²	138	59.4 Å²	59.4	65%	0.645	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-9.2	176.3	-64.7	-174	179.4	0	0	113.5	K24 E246 I247	K24-E249 HydrophobicContact CD-CG 4.15Å; K24-E249 WeakPolarHBondContact CE-OE1 3.31Å; K24-E249 IonicContact NZ-OE1 2.76Å; K24-E249 PolarHBondContact NZ-OE1 2.7Å; E246-E249 PolarHBondContact O-N 2.99Å; I247-E249 PolarHBondContact O-N 3.26Å
250	L	89.2	Confident	90.2	Very high	58 Å²	58	67 Å²	67	30%	0.304	34%	0.339	S	S	.	.	S	Bend	trans	-86.1	153.4	-179.8	-59.5	-179.5	0	0	0	111.3	I247 D254 K255 F258	I247-L250 PolarHBondContact O-N 2.84Å; L250-D254 HydrophobicContact CB-CB 3.93Å; L250-D254 HydrophobicContact CD1-CB 4.39Å; L250-D254 HydrophobicContact CD2-CB 4.12Å; L250-D254 HydrophobicContact CG-CB 4.35Å; L250-K255 HydrophobicContact CB-CB 4.27Å; L250-F258 HydrophobicContact CD1-CB 3.67Å; L250-F258 HydrophobicContact CD1-CD2 4.02Å; L250-F258 HydrophobicContact CD1-CG 3.86Å
251	D	87.4	Confident	89.9	Confident	92 Å²	92	71.1 Å²	71.1	49%	0.492	37%	0.373	S	S	.	.			trans	-79	173.2	166.4	66	38.5	0	0	0	111.3	E253 D254 K255	D251-E253 PolarHBondContact O-N 2.7Å; D251-E253 PolarHBondContact OD1-N 2.94Å; D251-E253 VanDerWaalsContact OD1-N 3.12Å; D251-D254 PolarHBondContact O-N 3.04Å; D251-D254 PolarHBondContact OD1-N 2.85Å; D251-K255 WeakPolarHBondContact O-CB 3.16Å; D251-K255 PolarHBondContact O-N 3.48Å
252	D	83.8	Confident	89.7	Confident	143 Å²	143	72.3 Å²	72.3	77%	0.765	38%	0.378	S	S	*	.	H	α-helix	trans	-61.4	-30.8	-174.5	-65.8	-29.3	0	0	0	113.6	A256	D252-A256 WeakPolarHBondContact O-CB 3.42Å; D252-A256 PolarHBondContact O-N 2.92Å
253	E	89	Confident	89.5	Confident	140 Å²	140	69.6 Å²	69.6	65%	0.654	38%	0.381	S	S	*	.	H	α-helix	trans	-74.5	-51	179	-171.8	171.4	-171.2	0	0	109.7	D251 K255 A256 E257	D251-E253 PolarHBondContact O-N 2.7Å; D251-E253 PolarHBondContact OD1-N 2.94Å; D251-E253 VanDerWaalsContact OD1-N 3.12Å; E253-K255 VanDerWaalsContact C-N 3.33Å; E253-K255 PolarHBondContact O-N 2.92Å; E253-A256 PolarHBondContact O-N 2.94Å; E253-E257 PolarHBondContact O-N 3.33Å; E253-E257 VanDerWaalsContact O-N 3.15Å
254	D	92.3	Very high	89.3	Confident	77 Å²	77	70.6 Å²	70.6	41%	0.412	39%	0.385	S	S	.	.	H	α-helix	trans	-64.3	-37.1	177.7	-74.7	-12.4	0	0	0	111.7	L250 D251 E257 F258	L250-D254 HydrophobicContact CB-CB 3.93Å; L250-D254 HydrophobicContact CD1-CB 4.39Å; L250-D254 HydrophobicContact CD2-CB 4.12Å; L250-D254 HydrophobicContact CG-CB 4.35Å; D251-D254 PolarHBondContact O-N 3.04Å; D251-D254 PolarHBondContact OD1-N 2.85Å; D254-E257 PolarHBondContact O-N 2.94Å; D254-F258 WeakPolarHBondContact O-CB 3.34Å; D254-F258 PolarHBondContact O-N 2.99Å
255	K	89.3	Confident	88.9	Confident	46 Å²	46	80.1 Å²	80.1	20%	0.2	43%	0.43	C	S	.	.	H	α-helix	trans	-60.2	-45.9	174.9	172.7	173.3	178.4	-171.7	0	110.9	I247 L250 D251 E253 F258 L259 D270	I247-K255 HydrophobicContact CG2-CD 3.92Å; I247-K255 HydrophobicContact CG2-CG 3.92Å; L250-K255 HydrophobicContact CB-CB 4.27Å; D251-K255 WeakPolarHBondContact O-CB 3.16Å; D251-K255 PolarHBondContact O-N 3.48Å; E253-K255 VanDerWaalsContact C-N 3.33Å; E253-K255 PolarHBondContact O-N 2.92Å; K255-F258 PolarHBondContact O-N 2.88Å; K255-L259 HydrophobicContact CG-CD1 4.01Å; K255-L259 HydrophobicContact CG-CG 4.41Å; K255-L259 WeakPolarHBondContact O-CB 3.23Å; K255-L259 VanDerWaalsContact O-CG 3.25Å; K255-L259 WeakPolarHBondContact O-CG 3.49Å; K255-L259 PolarHBondContact O-N 2.88Å; K255-D270 IonicContact NZ-OD1 3.77Å; K255-D270 IonicContact NZ-OD2 2.82Å; K255-D270 PolarHBondContact NZ-OD2 3.43Å
256	A	88.8	Confident	88.8	Confident	57 Å²	57	80.3 Å²	80.3	47%	0.471	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-43.1	179.4	0	0	0	0	0	111.7	D252 E253 E260	D252-A256 WeakPolarHBondContact O-CB 3.42Å; D252-A256 PolarHBondContact O-N 2.92Å; E253-A256 PolarHBondContact O-N 2.94Å; A256-E260 WeakPolarHBondContact O-CB 3.43Å; A256-E260 PolarHBondContact O-N 3.31Å
257	E	92.2	Very high	88.7	Confident	123 Å²	123	75.2 Å²	75.2	58%	0.575	41%	0.407	S	S	*	.	H	α-helix	trans	-63.1	-40.5	175.9	-68.3	-167.6	178	0	0	112.1	E253 D254 E260 A261	E253-E257 PolarHBondContact O-N 3.33Å; E253-E257 VanDerWaalsContact O-N 3.15Å; D254-E257 PolarHBondContact O-N 2.94Å; E257-E260 PolarHBondContact O-N 3.14Å; E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 3.19Å
258	F	91	Very high	88.7	Confident	46 Å²	46	75 Å²	75	20%	0.202	41%	0.407	C	S	.	.	H	α-helix	trans	-65.6	-46.7	178.6	-168.4	-91	0	0	0	112.1	A243 E246 I247 L250 D254 K255 E260 A261 M262	A243-F258 HydrophobicContact CB-CE1 4.36Å; E246-F258 HydrophobicContact CB-CZ 4.28Å; I247-F258 HydrophobicContact CD1-CD1 3.98Å; I247-F258 HydrophobicContact CD1-CE1 4.01Å; I247-F258 HydrophobicContact CG1-CD1 3.49Å; I247-F258 VanDerWaalsContact CG1-CD1 3.49Å; I247-F258 HydrophobicContact CG1-CE1 3.66Å; I247-F258 HydrophobicContact CG1-CG 4.47Å; L250-F258 HydrophobicContact CD1-CB 3.67Å; L250-F258 HydrophobicContact CD1-CD2 4.02Å; L250-F258 HydrophobicContact CD1-CG 3.86Å; D254-F258 WeakPolarHBondContact O-CB 3.34Å; D254-F258 PolarHBondContact O-N 2.99Å; K255-F258 PolarHBondContact O-N 2.88Å; F258-E260 VanDerWaalsContact C-N 3.35Å; F258-E260 PolarHBondContact O-N 3.18Å; F258-A261 PolarHBondContact O-N 3.23Å; F258-M262 HydrophobicContact CD1-CG 4.19Å; F258-M262 HydrophobicContact CD1-SD 3.57Å; F258-M262 VanDerWaalsContact CD1-SD 3.57Å; F258-M262 HydrophobicContact CE1-CE 4.48Å; F258-M262 HydrophobicContact CE1-CG 4.04Å; F258-M262 HydrophobicContact CE1-SD 3.19Å; F258-M262 WeakPolarHBondContact CE1-SD 3.36Å; F258-M262 HydrophobicContact CZ-SD 4.1Å; F258-M262 WeakPolarHBondContact O-CG 3.17Å; F258-M262 PolarHBondContact O-N 2.96Å
259	L	90.6	Very high	88.8	Confident	15 Å²	15	74.2 Å²	74.2	8%	0.079	40%	0.399	C	S	.	.	H	α-helix	trans	-60.2	-43.5	176.5	-70.6	175.4	0	0	0	111.5	I247 K255 A261 M262 G263 I264	I247-L259 HydrophobicContact CD1-CD2 3.79Å; K255-L259 HydrophobicContact CG-CD1 4.01Å; K255-L259 HydrophobicContact CG-CG 4.41Å; K255-L259 WeakPolarHBondContact O-CB 3.23Å; K255-L259 VanDerWaalsContact O-CG 3.25Å; K255-L259 WeakPolarHBondContact O-CG 3.49Å; K255-L259 PolarHBondContact O-N 2.88Å; L259-A261 PolarHBondContact O-N 2.9Å; L259-M262 PolarHBondContact O-N 2.98Å; L259-G263 PolarHBondContact O-N 3.44Å; L259-I264 CarbonylContact C-O 3.5Å; L259-I264 HydrophobicContact CB-CG1 4.36Å; L259-I264 WeakPolarHBondContact CB-O 3.1Å; L259-I264 HydrophobicContact CD2-CD1 3.46Å; L259-I264 VanDerWaalsContact CD2-CD1 3.46Å; L259-I264 HydrophobicContact CD2-CG1 3.66Å; L259-I264 PolarHBondContact O-N 3.41Å; L259-I264 VanDerWaalsContact O-O 3.09Å
260	E	91.4	Very high	89	Confident	160 Å²	160	68.8 Å²	68.8	75%	0.748	38%	0.375	S	S	*	.	H	α-helix	trans	-62.1	-42.2	175.7	-174.4	176.2	-169.5	0	0	111.6	A256 E257 F258 M262 G263	A256-E260 WeakPolarHBondContact O-CB 3.43Å; A256-E260 PolarHBondContact O-N 3.31Å; E257-E260 PolarHBondContact O-N 3.14Å; F258-E260 VanDerWaalsContact C-N 3.35Å; F258-E260 PolarHBondContact O-N 3.18Å; E260-M262 VanDerWaalsContact C-N 3.32Å; E260-M262 PolarHBondContact O-N 2.77Å; E260-G263 PolarHBondContact O-N 3.14Å; E260-G263 VanDerWaalsContact O-N 3.09Å
261	A	90.3	Very high	89.2	Confident	89 Å²	89	68.9 Å²	68.9	74%	0.736	37%	0.374	S	S	*	.	H	α-helix	trans	-64	-36	178.2	0	0	0	0	0	112.9	E257 F258 L259 G263	E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 3.19Å; F258-A261 PolarHBondContact O-N 3.23Å; L259-A261 PolarHBondContact O-N 2.9Å; A261-G263 VanDerWaalsContact C-N 3.31Å
262	M	88.1	Confident	89.5	Confident	26 Å²	26	64.5 Å²	64.5	13%	0.128	35%	0.35	C	S	.	.	H	α-helix	trans	-76.6	-16	173.9	-69.9	-178	84	0	0	113.3	E210 V213 A214 A243 I247 F258 L259 E260 I264	E210-M262 HydrophobicContact CG-CE 3.72Å; V213-M262 HydrophobicContact CG1-CE 3.52Å; A214-M262 VanDerWaalsContact CB-O 3.31Å; A214-M262 WeakPolarHBondContact CB-O 3.29Å; A243-M262 HydrophobicContact CB-CE 3.48Å; A243-M262 VanDerWaalsContact CB-CE 3.48Å; A243-M262 HydrophobicContact CB-SD 4.05Å; I247-M262 HydrophobicContact CD1-SD 4.47Å; F258-M262 HydrophobicContact CD1-CG 4.19Å; F258-M262 HydrophobicContact CD1-SD 3.57Å; F258-M262 VanDerWaalsContact CD1-SD 3.57Å; F258-M262 HydrophobicContact CE1-CE 4.48Å; F258-M262 HydrophobicContact CE1-CG 4.04Å; F258-M262 HydrophobicContact CE1-SD 3.19Å; F258-M262 WeakPolarHBondContact CE1-SD 3.36Å; F258-M262 HydrophobicContact CZ-SD 4.1Å; F258-M262 WeakPolarHBondContact O-CG 3.17Å; F258-M262 PolarHBondContact O-N 2.96Å; L259-M262 PolarHBondContact O-N 2.98Å; E260-M262 VanDerWaalsContact C-N 3.32Å; E260-M262 PolarHBondContact O-N 2.77Å; M262-I264 HydrophobicContact CB-CD1 4.24Å; M262-I264 HydrophobicContact CB-CG1 3.81Å; M262-I264 HydrophobicContact CE-CD1 4.16Å; M262-I264 HydrophobicContact SD-CD1 3.84Å; M262-I264 HydrophobicContact SD-CG1 4.38Å
263	G	87.9	Confident	89.9	Confident	55 Å²	55	57.8 Å²	57.8	57%	0.567	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	26.3	-176.3	0	0	0	0	0	114	L259 E260 A261	L259-G263 PolarHBondContact O-N 3.44Å; E260-G263 PolarHBondContact O-N 3.14Å; E260-G263 VanDerWaalsContact O-N 3.09Å; A261-G263 VanDerWaalsContact C-N 3.31Å
264	I	87.3	Confident	90	Very high	24 Å²	24	55.9 Å²	55.9	12%	0.123	30%	0.301	C	S	.	.			trans	-113.3	137.9	175.6	51.9	172.5	0	0	0	110.5	V213 A214 L259 M262	V213-I264 HydrophobicContact CG1-CG2 4.18Å; A214-I264 HydrophobicContact CB-CG2 4.24Å; L259-I264 CarbonylContact C-O 3.5Å; L259-I264 HydrophobicContact CB-CG1 4.36Å; L259-I264 WeakPolarHBondContact CB-O 3.1Å; L259-I264 HydrophobicContact CD2-CD1 3.46Å; L259-I264 VanDerWaalsContact CD2-CD1 3.46Å; L259-I264 HydrophobicContact CD2-CG1 3.66Å; L259-I264 PolarHBondContact O-N 3.41Å; L259-I264 VanDerWaalsContact O-O 3.09Å; M262-I264 HydrophobicContact CB-CD1 4.24Å; M262-I264 HydrophobicContact CB-CG1 3.81Å; M262-I264 HydrophobicContact CE-CD1 4.16Å; M262-I264 HydrophobicContact SD-CD1 3.84Å; M262-I264 HydrophobicContact SD-CG1 4.38Å
265	E	85	Confident	90.1	Very high	202 Å²	202	53.1 Å²	53.1	94%	0.944	29%	0.287	S	S	*	.	S	Bend	trans	-82.6	-29.8	-175.7	-65.4	-176.3	170.8	0	0	113.2
266	E	86.8	Confident	90.3	Very high	57 Å²	57	51 Å²	51	27%	0.266	28%	0.278	S	S	.	.	S	Bend	trans	-144.2	142.9	-177.5	-174.5	-178.3	169.3	0	0	108.8	D270 Q271 R274	E266-D270 HydrophobicContact CG-CB 4.07Å; E266-D270 WeakPolarHBondContact OE1-CB 3.45Å; E266-Q271 HydrophobicContact CG-CG 4.18Å; E266-Q271 PolarHBondContact O-NE2 3.26Å; E266-R274 IonicContact OE1-CZ 3.68Å; E266-R274 IonicContact OE1-NH1 3.5Å; E266-R274 PolarHBondContact OE1-NH1 3.28Å; E266-R274 VanDerWaalsContact OE1-NH1 3.11Å; E266-R274 IonicContact OE1-NH2 3.89Å; E266-R274 PolarHBondContact OE1-NH2 3.38Å; E266-R274 IonicContact OE2-CZ 2.56Å; E266-R274 IonicContact OE2-NH1 3Å; E266-R274 PolarHBondContact OE2-NH1 3.48Å; E266-R274 IonicContact OE2-NH2 3.8Å; E266-R274 PolarHBondContact OE2-NH2 3.29Å
267	S	89.1	Confident	90.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.			trans	-61.4	146	176.9	79	0	0	0	0	111.1	E244 L269 D270 Q271	E244-S267 WeakPolarHBondContact OE2-CB 3.46Å; S267-L269 PolarHBondContact O-N 3.11Å; S267-D270 PolarHBondContact O-N 3.37Å; S267-D270 WeakPolarHBondContact OG-CB 3.47Å; S267-D270 PolarHBondContact OG-N 3.29Å; S267-D270 PolarHBondContact OG-OD1 2.67Å; S267-D270 PolarHBondContact OG-OD2 3.38Å; S267-D270 VanDerWaalsContact OG-OD2 3.12Å; S267-Q271 WeakPolarHBondContact O-CG 3.37Å; S267-Q271 PolarHBondContact O-N 3.36Å
268	G	89.8	Confident	90.6	Very high	4 Å²	4	46.5 Å²	46.5	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-27.4	174.6	0	0	0	0	0	111.8	E244 L272	E244-G268 WeakPolarHBondContact OE1-CA 3.32Å; E244-G268 PolarHBondContact OE1-N 3.19Å; G268-L272 VanDerWaalsContact O-CB 3.28Å; G268-L272 WeakPolarHBondContact O-CB 3.32Å; G268-L272 PolarHBondContact O-N 2.73Å
269	L	89.8	Confident	90.7	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-63.5	-47.2	173.2	-165.7	83.4	0	0	0	112.2	L18 A21 I22 A25 E244 S267 Q271 L272 I273	L18-L269 HydrophobicContact CD1-CD1 4.16Å; A21-L269 HydrophobicContact CB-CD1 4.07Å; I22-L269 HydrophobicContact CB-CD1 4.3Å; I22-L269 HydrophobicContact CD1-CD1 4.4Å; I22-L269 HydrophobicContact CG1-CD1 3.33Å; I22-L269 HydrophobicContact CG1-CG 4.38Å; A25-L269 HydrophobicContact CB-CD2 3.64Å; E244-L269 HydrophobicContact CG-CB 4.35Å; E244-L269 PolarHBondContact OE1-N 2.87Å; E244-L269 VanDerWaalsContact OE2-CB 3.22Å; E244-L269 WeakPolarHBondContact OE2-CB 3.22Å; E244-L269 PolarHBondContact OE2-N 2.92Å; S267-L269 PolarHBondContact O-N 3.11Å; L269-Q271 VanDerWaalsContact C-N 3.32Å; L269-Q271 PolarHBondContact O-N 2.69Å; L269-L272 WeakPolarHBondContact O-CB 3.33Å; L269-L272 PolarHBondContact O-N 3.36Å; L269-I273 HydrophobicContact CD2-CD1 4.36Å; L269-I273 HydrophobicContact CG-CD1 4.1Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.5Å; L269-I273 PolarHBondContact O-N 3Å
270	D	90.3	Very high	90.9	Very high	25 Å²	25	46.3 Å²	46.3	13%	0.134	25%	0.25	C	C	.	.	H	α-helix	trans	-65.6	-40.3	-178	-68.9	-16	0	0	0	110.2	P47 K255 E266 S267 I273 R274	P47-D270 HydrophobicContact CB-CB 4.29Å; P47-D270 HydrophobicContact CG-CB 3.86Å; P47-D270 WeakPolarHBondContact CG-OD1 3.33Å; K255-D270 IonicContact NZ-OD1 3.77Å; K255-D270 IonicContact NZ-OD2 2.82Å; K255-D270 PolarHBondContact NZ-OD2 3.43Å; E266-D270 HydrophobicContact CG-CB 4.07Å; E266-D270 WeakPolarHBondContact OE1-CB 3.45Å; S267-D270 PolarHBondContact O-N 3.37Å; S267-D270 WeakPolarHBondContact OG-CB 3.47Å; S267-D270 PolarHBondContact OG-N 3.29Å; S267-D270 PolarHBondContact OG-OD1 2.67Å; S267-D270 PolarHBondContact OG-OD2 3.38Å; S267-D270 VanDerWaalsContact OG-OD2 3.12Å; D270-I273 PolarHBondContact O-N 2.87Å; D270-R274 WeakPolarHBondContact O-CB 3.4Å; D270-R274 PolarHBondContact O-N 2.84Å
271	Q	92.1	Very high	91	Very high	60 Å²	60	39.9 Å²	39.9	28%	0.28	23%	0.227	S	C	.	.	H	α-helix	trans	-60.9	-47	171.2	-66	178.3	58.5	0	0	112	I237 E266 S267 L269 I273 R274 T275	I237-Q271 HydrophobicContact CD1-CB 4.11Å; I237-Q271 HydrophobicContact CG2-CB 4.19Å; E266-Q271 HydrophobicContact CG-CG 4.18Å; E266-Q271 PolarHBondContact O-NE2 3.26Å; S267-Q271 WeakPolarHBondContact O-CG 3.37Å; S267-Q271 PolarHBondContact O-N 3.36Å; L269-Q271 VanDerWaalsContact C-N 3.32Å; L269-Q271 PolarHBondContact O-N 2.69Å; Q271-I273 PolarHBondContact O-N 3.17Å; Q271-R274 PolarHBondContact O-N 3Å; Q271-T275 WeakPolarHBondContact O-CB 3.17Å; Q271-T275 PolarHBondContact O-N 3.26Å; Q271-T275 PolarHBondContact O-OG1 3.28Å; Q271-T275 VanDerWaalsContact O-OG1 3.05Å
272	L	93.8	Very high	91.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.6	-47.6	177.2	170.7	60.5	0	0	0	111.6	L18 I22 F70 C101 L203 V205 G268 L269 A276	L18-L272 HydrophobicContact CD1-CD2 4.22Å; L18-L272 HydrophobicContact CD2-CD2 3.9Å; L18-L272 HydrophobicContact CG-CD2 4.28Å; I22-L272 HydrophobicContact CD1-CD2 4.08Å; F70-L272 HydrophobicContact CZ-CG 4.37Å; C101-L272 HydrophobicContact CB-CD1 4.43Å; L203-L272 HydrophobicContact CD2-CD1 3.54Å; L203-L272 HydrophobicContact CG-CD1 4.46Å; V205-L272 HydrophobicContact CG2-CD1 3.6Å; V205-L272 HydrophobicContact CG2-CD2 4.47Å; G268-L272 VanDerWaalsContact O-CB 3.28Å; G268-L272 WeakPolarHBondContact O-CB 3.32Å; G268-L272 PolarHBondContact O-N 2.73Å; L269-L272 WeakPolarHBondContact O-CB 3.33Å; L269-L272 PolarHBondContact O-N 3.36Å; L272-A276 WeakPolarHBondContact O-CB 3.43Å; L272-A276 PolarHBondContact O-N 3.34Å
273	I	92	Very high	91.6	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-48.4	-179.6	-64.9	164.1	0	0	0	110	V44 V46 F68 F70 L269 D270 Q271 A276 Y277	V44-I273 HydrophobicContact CB-CD1 4.22Å; V44-I273 HydrophobicContact CG2-CD1 4.21Å; V44-I273 HydrophobicContact CG2-CG1 4.11Å; V44-I273 HydrophobicContact CG2-CG2 3.94Å; V46-I273 HydrophobicContact CB-CG2 4.36Å; V46-I273 HydrophobicContact CG1-CG2 4.38Å; V46-I273 HydrophobicContact CG2-CG2 4.14Å; F68-I273 HydrophobicContact CD1-CG2 4.47Å; F70-I273 HydrophobicContact CE2-CG1 4.03Å; L269-I273 HydrophobicContact CD2-CD1 4.36Å; L269-I273 HydrophobicContact CG-CD1 4.1Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.5Å; L269-I273 PolarHBondContact O-N 3Å; D270-I273 PolarHBondContact O-N 2.87Å; Q271-I273 PolarHBondContact O-N 3.17Å; I273-A276 PolarHBondContact O-N 3.37Å; I273-Y277 VanDerWaalsContact O-CB 3.28Å; I273-Y277 WeakPolarHBondContact O-CB 3.34Å; I273-Y277 PolarHBondContact O-N 3.21Å
274	R	91.9	Very high	92.1	Very high	99 Å²	99	32.4 Å²	32.4	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-66.4	-43.7	-177.9	-173.8	171.2	54.5	-156.5	-7.1	112.3	E266 D270 Q271 Y277 D278	E266-R274 IonicContact OE1-CZ 3.68Å; E266-R274 IonicContact OE1-NH1 3.5Å; E266-R274 PolarHBondContact OE1-NH1 3.28Å; E266-R274 VanDerWaalsContact OE1-NH1 3.11Å; E266-R274 IonicContact OE1-NH2 3.89Å; E266-R274 PolarHBondContact OE1-NH2 3.38Å; E266-R274 IonicContact OE2-CZ 2.56Å; E266-R274 IonicContact OE2-NH1 3Å; E266-R274 PolarHBondContact OE2-NH1 3.48Å; E266-R274 IonicContact OE2-NH2 3.8Å; E266-R274 PolarHBondContact OE2-NH2 3.29Å; D270-R274 WeakPolarHBondContact O-CB 3.4Å; D270-R274 PolarHBondContact O-N 2.84Å; Q271-R274 PolarHBondContact O-N 3Å; R274-Y277 PolarHBondContact O-N 3.47Å; R274-D278 PolarHBondContact O-N 3.46Å
275	T	93.9	Very high	92.6	Very high	20 Å²	20	31.2 Å²	31.2	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-40.3	177.4	-57.7	0	0	0	0	111.3	L203 E235 Q271 Y277 D278 L279	L203-T275 HydrophobicContact CD1-CG2 3.68Å; L203-T275 HydrophobicContact CD2-CG2 3.87Å; L203-T275 HydrophobicContact CG-CG2 4.43Å; E235-T275 HydrophobicContact CB-CG2 4.49Å; Q271-T275 WeakPolarHBondContact O-CB 3.17Å; Q271-T275 PolarHBondContact O-N 3.26Å; Q271-T275 PolarHBondContact O-OG1 3.28Å; Q271-T275 VanDerWaalsContact O-OG1 3.05Å; T275-Y277 VanDerWaalsContact C-N 3.33Å; T275-Y277 PolarHBondContact O-N 3.34Å; T275-D278 PolarHBondContact O-N 3.47Å; T275-L279 WeakPolarHBondContact O-CB 3.25Å; T275-L279 PolarHBondContact O-N 3.48Å
276	A	93.7	Very high	93.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-39.6	174.6	0	0	0	0	0	112.1	F68 F70 L203 L272 I273 L279 L280	F68-A276 HydrophobicContact CE1-CB 4.2Å; F68-A276 HydrophobicContact CZ-CB 4.11Å; F70-A276 HydrophobicContact CE1-CB 4.17Å; F70-A276 HydrophobicContact CZ-CB 3.89Å; L203-A276 HydrophobicContact CD2-CB 4.41Å; L272-A276 WeakPolarHBondContact O-CB 3.43Å; L272-A276 PolarHBondContact O-N 3.34Å; I273-A276 PolarHBondContact O-N 3.37Å; A276-L279 PolarHBondContact O-N 3.4Å; A276-L280 VanDerWaalsContact O-CG 3.31Å; A276-L280 WeakPolarHBondContact O-CG 3.36Å; A276-L280 PolarHBondContact O-N 2.9Å; A276-L280 VanDerWaalsContact O-N 3.13Å
277	Y	93.6	Very high	93.7	Very high	11 Å²	11	20.1 Å²	20.1	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-46.4	174.5	-175.4	-96.9	0	0	0	111.6	V46 T66 F68 I273 R274 T275 L280 L282 A283 T284 T297	V46-Y277 HydrophobicContact CG1-CD1 4.44Å; V46-Y277 HydrophobicContact CG1-CG 4.26Å; V46-Y277 HydrophobicContact CG2-CD2 3.76Å; V46-Y277 HydrophobicContact CG2-CE2 4.07Å; V46-Y277 HydrophobicContact CG2-CG 4.27Å; T66-Y277 HydrophobicContact CG2-CE2 4.29Å; F68-Y277 HydrophobicContact CB-CD2 4.17Å; I273-Y277 VanDerWaalsContact O-CB 3.28Å; I273-Y277 WeakPolarHBondContact O-CB 3.34Å; I273-Y277 PolarHBondContact O-N 3.21Å; R274-Y277 PolarHBondContact O-N 3.47Å; T275-Y277 VanDerWaalsContact C-N 3.33Å; T275-Y277 PolarHBondContact O-N 3.34Å; Y277-L280 PolarHBondContact O-N 2.94Å; Y277-L282 HydrophobicContact CD1-CB 3.82Å; Y277-L282 HydrophobicContact CD2-CB 3.81Å; Y277-L282 HydrophobicContact CD2-CD1 3.54Å; Y277-L282 HydrophobicContact CD2-CG 4.31Å; Y277-L282 HydrophobicContact CE1-CB 3.64Å; Y277-L282 HydrophobicContact CE2-CB 3.61Å; Y277-L282 HydrophobicContact CE2-CD1 3.56Å; Y277-L282 HydrophobicContact CE2-CG 4.21Å; Y277-L282 HydrophobicContact CG-CB 3.92Å; Y277-L282 HydrophobicContact CG-CD1 4.3Å; Y277-L282 VanDerWaalsContact O-CB 3.28Å; Y277-L282 WeakPolarHBondContact O-CB 3.2Å; Y277-L282 PolarHBondContact O-N 2.56Å; Y277-A283 PolarHBondContact OH-O 3.37Å; Y277-T284 PolarHBondContact OH-OG1 2.89Å; Y277-T297 HydrophobicContact CE2-CG2 3.94Å; Y277-T297 WeakPolarHBondContact CE2-OG1 3.3Å; Y277-T297 VanDerWaalsContact OH-CA 3.3Å; Y277-T297 WeakPolarHBondContact OH-CA 3.46Å; Y277-T297 WeakPolarHBondContact OH-CB 3.4Å; Y277-T297 WeakPolarHBondContact OH-CG2 3.42Å; Y277-T297 PolarHBondContact OH-OG1 3.05Å
278	D	94.1	Very high	94	Very high	76 Å²	76	22 Å²	22	41%	0.406	12%	0.122	S	C	.	.	H	α-helix	trans	-64.4	-41.6	176.1	-164.1	84.3	0	0	0	112.5	R274 T275 L280 G281 K300	R274-D278 PolarHBondContact O-N 3.46Å; T275-D278 PolarHBondContact O-N 3.47Å; D278-L280 PolarHBondContact O-N 3.04Å; D278-G281 VanDerWaalsContact O-CA 3.26Å; D278-G281 WeakPolarHBondContact O-CA 3.3Å; D278-G281 PolarHBondContact O-N 3.21Å; D278-K300 WeakPolarHBondContact OD1-CE 3.19Å; D278-K300 IonicContact OD1-NZ 2.72Å; D278-K300 PolarHBondContact OD1-NZ 2.82Å; D278-K300 IonicContact OD2-NZ 2.6Å; D278-K300 PolarHBondContact OD2-NZ 2.78Å
279	L	94.1	Very high	94.1	Very high	40 Å²	40	23.3 Å²	23.3	21%	0.209	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-33.7	179	-175.1	66.4	0	0	0	112.3	A99 P201 L203 T275 A276 G281	A99-L279 HydrophobicContact CB-CD2 4.08Å; A99-L279 HydrophobicContact CB-CG 4.47Å; P201-L279 HydrophobicContact CB-CD1 3.61Å; P201-L279 HydrophobicContact CB-CD2 4.07Å; P201-L279 HydrophobicContact CB-CG 3.7Å; P201-L279 HydrophobicContact CG-CG 4.21Å; L203-L279 HydrophobicContact CB-CD2 3.83Å; T275-L279 WeakPolarHBondContact O-CB 3.25Å; T275-L279 PolarHBondContact O-N 3.48Å; A276-L279 PolarHBondContact O-N 3.4Å; L279-G281 PolarHBondContact O-N 3.44Å
280	L	93.7	Very high	94.2	Very high	16 Å²	16	30.1 Å²	30.1	8%	0.084	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-1.7	172.7	-73.1	171	0	0	0	113	L3 F68 D98 A99 A276 Y277 D278 L282	L3-L280 HydrophobicContact CB-CB 4.32Å; L3-L280 HydrophobicContact CB-CD1 3.99Å; L3-L280 HydrophobicContact CB-CD2 4.07Å; L3-L280 HydrophobicContact CB-CG 4.36Å; L3-L280 HydrophobicContact CD1-CB 3.8Å; L3-L280 HydrophobicContact CD1-CD2 4.41Å; L3-L280 WeakPolarHBondContact CD1-O 3.3Å; F68-L280 HydrophobicContact CD2-CD1 3.8Å; F68-L280 HydrophobicContact CE2-CD1 3.43Å; F68-L280 VanDerWaalsContact CE2-CD1 3.43Å; F68-L280 HydrophobicContact CZ-CD1 4.17Å; D98-L280 HydrophobicContact CB-CD2 3.54Å; A99-L280 HydrophobicContact CB-CD2 3.5Å; A99-L280 VanDerWaalsContact CB-CD2 3.5Å; A99-L280 HydrophobicContact CB-CG 4.02Å; A276-L280 VanDerWaalsContact O-CG 3.31Å; A276-L280 WeakPolarHBondContact O-CG 3.36Å; A276-L280 PolarHBondContact O-N 2.9Å; A276-L280 VanDerWaalsContact O-N 3.13Å; Y277-L280 PolarHBondContact O-N 2.94Å; D278-L280 PolarHBondContact O-N 3.04Å; L280-L282 HydrophobicContact CB-CD1 4.12Å; L280-L282 HydrophobicContact CB-CG 3.96Å; L280-L282 HydrophobicContact CD1-CD1 4.34Å; L280-L282 PolarHBondContact O-N 3Å
281	G	93.7	Very high	94.4	Very high	25 Å²	25	34.3 Å²	34.3	26%	0.258	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	26.4	-174.3	0	0	0	0	0	112	D278 L279 R299 K300	D278-G281 VanDerWaalsContact O-CA 3.26Å; D278-G281 WeakPolarHBondContact O-CA 3.3Å; D278-G281 PolarHBondContact O-N 3.21Å; L279-G281 PolarHBondContact O-N 3.44Å; G281-R299 CarbonylContact O-C 3.6Å; G281-R299 WeakPolarHBondContact O-CA 3.42Å; G281-K300 PolarHBondContact O-N 2.94Å
282	L	95.4	Very high	94.5	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	155.8	173.7	-57.4	175.9	0	0	0	110.4	L3 Y277 L280 T297 F298 R299 K300	L3-L282 HydrophobicContact CB-CD1 4.32Å; L3-L282 HydrophobicContact CD1-CD1 4.32Å; L3-L282 HydrophobicContact CD1-CD2 3.53Å; L3-L282 HydrophobicContact CD1-CG 3.86Å; L3-L282 HydrophobicContact CG-CD2 4.41Å; Y277-L282 HydrophobicContact CD1-CB 3.82Å; Y277-L282 HydrophobicContact CD2-CB 3.81Å; Y277-L282 HydrophobicContact CD2-CD1 3.54Å; Y277-L282 HydrophobicContact CD2-CG 4.31Å; Y277-L282 HydrophobicContact CE1-CB 3.64Å; Y277-L282 HydrophobicContact CE2-CB 3.61Å; Y277-L282 HydrophobicContact CE2-CD1 3.56Å; Y277-L282 HydrophobicContact CE2-CG 4.21Å; Y277-L282 HydrophobicContact CG-CB 3.92Å; Y277-L282 HydrophobicContact CG-CD1 4.3Å; Y277-L282 VanDerWaalsContact O-CB 3.28Å; Y277-L282 WeakPolarHBondContact O-CB 3.2Å; Y277-L282 PolarHBondContact O-N 2.56Å; L280-L282 HydrophobicContact CB-CD1 4.12Å; L280-L282 HydrophobicContact CB-CG 3.96Å; L280-L282 HydrophobicContact CD1-CD1 4.34Å; L280-L282 PolarHBondContact O-N 3Å; L282-T297 HydrophobicContact CB-CG2 4.23Å; L282-T297 HydrophobicContact CD1-CG2 4.03Å; L282-T297 HydrophobicContact CD2-CG2 3.69Å; L282-T297 HydrophobicContact CG-CG2 4.2Å; L282-F298 CarbonylContact C-O 3.58Å; L282-F298 WeakPolarHBondContact CA-O 3.32Å; L282-R299 HydrophobicContact CD2-CG 3.89Å; L282-K300 WeakPolarHBondContact O-CE 3.49Å
283	A	96.1	Very high	94.7	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	163.9	177.8	0	0	0	0	0	108.2	Y277 F298 K300 D356	Y277-A283 PolarHBondContact OH-O 3.37Å; A283-F298 HydrophobicContact CB-CD1 4.17Å; A283-F298 HydrophobicContact CB-CD2 4.48Å; A283-F298 HydrophobicContact CB-CE1 3.58Å; A283-F298 HydrophobicContact CB-CE2 3.93Å; A283-F298 HydrophobicContact CB-CZ 3.44Å; A283-F298 VanDerWaalsContact CB-CZ 3.44Å; A283-F298 PolarHBondContact N-O 2.76Å; A283-F298 WeakPolarHBondContact O-CD1 3.3Å; A283-F298 PolarHBondContact O-N 3.42Å; A283-K300 HydrophobicContact CB-CG 3.98Å; A283-D356 HydrophobicContact CB-CB 3.88Å
284	T	97.4	Very high	95	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.3	-174.3	-59.5	0	0	0	0	110.3	Y277 F286 A295 W296 D356 G357	Y277-T284 PolarHBondContact OH-OG1 2.89Å; T284-F286 HydrophobicContact CG2-CD1 4.26Å; T284-F286 HydrophobicContact CG2-CE1 3.69Å; T284-F286 HydrophobicContact CG2-CE2 4.34Å; T284-F286 HydrophobicContact CG2-CZ 3.74Å; T284-A295 HydrophobicContact CG2-CB 3.63Å; T284-W296 WeakPolarHBondContact CA-O 3.32Å; T284-D356 PolarHBondContact N-OD1 3.21Å; T284-G357 PolarHBondContact O-N 3.39Å
285	Y	98.2	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.7	162.6	80.2	-97.1	0	0	0	108.9	T287 W296 F298 A307 I310 I311 V354 D358 M360 F362	Y285-T287 HydrophobicContact CE2-CG2 4.18Å; Y285-W296 HydrophobicContact CD1-CB 3.88Å; Y285-W296 HydrophobicContact CD2-CB 4.23Å; Y285-W296 HydrophobicContact CD2-CG 4.45Å; Y285-W296 HydrophobicContact CE1-CB 3.46Å; Y285-W296 VanDerWaalsContact CE1-CB 3.46Å; Y285-W296 HydrophobicContact CE1-CG 4.19Å; Y285-W296 HydrophobicContact CE2-CB 3.82Å; Y285-W296 AromaticContact CE2-CD1 3.49Å; Y285-W296 VanDerWaalsContact CE2-CD1 3.49Å; Y285-W296 AromaticContact CE2-CG 3.76Å; Y285-W296 HydrophobicContact CE2-CG 3.76Å; Y285-W296 HydrophobicContact CG-CB 4.24Å; Y285-W296 VanDerWaalsContact CZ-CB 3.42Å; Y285-W296 AromaticContact CZ-CD1 3.84Å; Y285-W296 AromaticContact CZ-CG 3.62Å; Y285-W296 PolarHBondContact N-O 3.36Å; Y285-W296 VanDerWaalsContact N-O 3.09Å; Y285-W296 PolarHBondContact O-N 2.84Å; Y285-F298 AromaticContact CD1-CD1 3.66Å; Y285-F298 HydrophobicContact CD1-CD1 3.66Å; Y285-F298 HydrophobicContact CD1-CE1 4.21Å; Y285-F298 HydrophobicContact CD1-CG 4.32Å; Y285-F298 HydrophobicContact CG-CD1 4.49Å; Y285-A307 HydrophobicContact CD1-CB 4.45Å; Y285-A307 HydrophobicContact CE1-CB 3.97Å; Y285-A307 PolarHBondContact OH-O 3.27Å; Y285-I310 HydrophobicContact CE1-CD1 4.33Å; Y285-I311 VanDerWaalsContact OH-CG1 3.27Å; Y285-I311 WeakPolarHBondContact OH-CG1 3.47Å; Y285-V354 HydrophobicContact CD1-CG1 4.36Å; Y285-V354 HydrophobicContact CG-CG1 4.38Å; Y285-D358 CarbonylContact C-O 3.58Å; Y285-D358 VanDerWaalsContact CA-O 3.29Å; Y285-D358 WeakPolarHBondContact CA-O 3.3Å; Y285-D358 WeakPolarHBondContact CB-O 3.37Å; Y285-M360 HydrophobicContact CD2-CB 4.22Å; Y285-M360 HydrophobicContact CD2-CG 4.22Å; Y285-M360 HydrophobicContact CD2-SD 4.11Å; Y285-M360 HydrophobicContact CG-SD 4.16Å; Y285-F362 AromaticContact CE2-CE2 3.78Å; Y285-F362 HydrophobicContact CE2-CE2 3.78Å; Y285-F362 HydrophobicContact CE2-CZ 4.13Å; Y285-F362 AromaticContact CZ-CE2 3.95Å
286	F	98.5	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145	-176.6	-53.7	-82.3	0	0	0	112.1	D48 R50 L51 L54 T284 R294 A295 D358 V359 M360	D48-F286 WeakPolarHBondContact OD2-CZ 3.35Å; R50-F286 HydrophobicContact CB-CE2 3.93Å; R50-F286 HydrophobicContact CB-CZ 3.77Å; L51-F286 HydrophobicContact CB-CE1 3.96Å; L51-F286 HydrophobicContact CD1-CD1 3.94Å; L51-F286 HydrophobicContact CD1-CE1 4.04Å; L54-F286 HydrophobicContact CD1-CB 3.62Å; L54-F286 HydrophobicContact CD1-CD1 3.9Å; L54-F286 HydrophobicContact CD1-CD2 3.73Å; L54-F286 HydrophobicContact CD1-CE2 4.36Å; L54-F286 HydrophobicContact CD1-CG 3.46Å; L54-F286 VanDerWaalsContact CD1-CG 3.46Å; T284-F286 HydrophobicContact CG2-CD1 4.26Å; T284-F286 HydrophobicContact CG2-CE1 3.69Å; T284-F286 HydrophobicContact CG2-CE2 4.34Å; T284-F286 HydrophobicContact CG2-CZ 3.74Å; F286-R294 VanDerWaalsContact CA-O 3.29Å; F286-R294 WeakPolarHBondContact CA-O 3.21Å; F286-A295 HydrophobicContact CD1-CB 3.98Å; F286-A295 HydrophobicContact CE1-CB 3.8Å; F286-D358 PolarHBondContact N-O 2.9Å; F286-V359 HydrophobicContact CB-CG1 4.48Å; F286-V359 HydrophobicContact CB-CG2 4.24Å; F286-V359 HydrophobicContact CD2-CG2 4.33Å; F286-V359 CarbonylContact O-C 3.55Å; F286-V359 WeakPolarHBondContact O-CA 3.39Å; F286-M360 PolarHBondContact O-N 3.12Å
287	T	97.4	Very high	95.4	Very high	25 Å²	25	35.8 Å²	35.8	15%	0.153	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.2	157.2	53.6	0	0	0	0	107.9	Y285 V293 R294 W296 I311	Y285-T287 HydrophobicContact CE2-CG2 4.18Å; T287-V293 CarbonylContact O-C 3.53Å; T287-V293 WeakPolarHBondContact O-CA 3.39Å; T287-R294 PolarHBondContact N-O 2.88Å; T287-R294 PolarHBondContact O-N 2.97Å; T287-W296 PolarHBondContact OG1-NE1 3.37Å; T287-I311 HydrophobicContact CG2-CD1 3.81Å
288	A	95.4	Very high	95.5	Very high	40 Å²	40	35.5 Å²	35.5	33%	0.331	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	112.5	-174.2	0	0	0	0	0	110.5	V58 V293 V359	V58-A288 HydrophobicContact CG2-CB 4.17Å; A288-V293 HydrophobicContact CB-CG2 4.19Å; A288-V359 HydrophobicContact CB-CG1 3.81Å
289	G	92	Very high	95.6	Very high	31 Å²	31	37.8 Å²	37.8	32%	0.32	20%	0.196	S	C	.	.			trans	-153.2	171.3	177.1	0	0	0	0	0	112.5	V58 Q291 E292	V58-G289 WeakPolarHBondContact CG1-O 3.46Å; G289-Q291 PolarHBondContact O-N 3.34Å; G289-E292 PolarHBondContact N-O 3.5Å; G289-E292 CarbonylContact O-C 3.54Å; G289-E292 VanDerWaalsContact O-C 3.29Å; G289-E292 PolarHBondContact O-N 3.03Å
290	E	90.6	Very high	95.6	Very high	149 Å²	149	40.9 Å²	40.9	70%	0.696	21%	0.208	S	C	*	.	S	Bend	trans	-61.8	-28.9	-174.5	-62.8	179.5	178.5	0	0	113.8	P60 K61	P60-E290 WeakPolarHBondContact CA-O 3.33Å; K61-E290 PolarHBondContact N-O 3.26Å
291	Q	94.7	Very high	95.8	Very high	113 Å²	113	42.6 Å²	42.6	53%	0.528	23%	0.23	S	C	.	.	S	Bend	trans	-77.2	-44.8	176.8	-62.1	-46.3	-65.1	0	0	111.7	K61 K62 G289	K61-Q291 WeakPolarHBondContact CB-O 3.18Å; K62-Q291 PolarHBondContact N-O 3.33Å; G289-Q291 PolarHBondContact O-N 3.34Å
292	E	95.3	Very high	95.9	Very high	69 Å²	69	42.5 Å²	42.5	32%	0.322	22%	0.224	S	C	.	.			trans	-151.4	146.5	178.4	64.1	-178.6	-153.5	0	0	112.5	K62 G289	K62-E292 HydrophobicContact CB-CB 4.31Å; K62-E292 CarbonylContact O-C 3.58Å; K62-E292 WeakPolarHBondContact O-CA 3.48Å; G289-E292 PolarHBondContact N-O 3.5Å; G289-E292 CarbonylContact O-C 3.54Å; G289-E292 VanDerWaalsContact O-C 3.29Å; G289-E292 PolarHBondContact O-N 3.03Å
293	V	97.5	Very high	96.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.3	155.7	176.4	0	0	0	0	106.6	L51 L54 V58 P60 K62 T63 V64 T287 A288	L51-V293 HydrophobicContact CD1-CG1 3.68Å; L54-V293 HydrophobicContact CB-CG1 3.76Å; L54-V293 HydrophobicContact CD1-CG1 4.42Å; V58-V293 HydrophobicContact CB-CG2 3.87Å; V58-V293 HydrophobicContact CG1-CG2 3.99Å; V58-V293 HydrophobicContact CG2-CG2 4.24Å; P60-V293 HydrophobicContact CB-CB 4.41Å; P60-V293 HydrophobicContact CB-CG2 3.9Å; P60-V293 HydrophobicContact CG-CB 3.99Å; P60-V293 HydrophobicContact CG-CG2 3.62Å; K62-V293 PolarHBondContact O-N 2.92Å; T63-V293 CarbonylContact C-O 3.58Å; T63-V293 VanDerWaalsContact CA-O 3.32Å; T63-V293 WeakPolarHBondContact CA-O 3.33Å; V64-V293 PolarHBondContact N-O 3.45Å; T287-V293 CarbonylContact O-C 3.53Å; T287-V293 WeakPolarHBondContact O-CA 3.39Å; A288-V293 HydrophobicContact CB-CG2 4.19Å
294	R	97.3	Very high	96.2	Very high	73 Å²	73	45.8 Å²	45.8	28%	0.275	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.8	-176.4	177.3	173.4	-122.8	-172.7	-10.8	111.6	V64 F286 T287 W296	V64-R294 HydrophobicContact CB-CB 4.07Å; V64-R294 HydrophobicContact CB-CG 3.86Å; V64-R294 HydrophobicContact CG1-CG 4.16Å; V64-R294 VanDerWaalsContact CG1-NE 3.3Å; V64-R294 WeakPolarHBondContact O-CA 3.25Å; F286-R294 VanDerWaalsContact CA-O 3.29Å; F286-R294 WeakPolarHBondContact CA-O 3.21Å; T287-R294 PolarHBondContact N-O 2.88Å; T287-R294 PolarHBondContact O-N 2.97Å; R294-W296 HydrophobicContact CG-CD2 4.17Å; R294-W296 HydrophobicContact CG-CG 4.46Å; R294-W296 HydrophobicContact CG-CZ2 4.12Å
295	A	97	Very high	96.2	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135	166.6	0	0	0	0	0	110.4	L51 V64 T66 T284 F286	L51-A295 HydrophobicContact CD1-CB 4.16Å; L51-A295 HydrophobicContact CD2-CB 4.39Å; V64-A295 PolarHBondContact O-N 2.92Å; T66-A295 HydrophobicContact CG2-CB 4.45Å; T284-A295 HydrophobicContact CG2-CB 3.63Å; F286-A295 HydrophobicContact CD1-CB 3.98Å; F286-A295 HydrophobicContact CE1-CB 3.8Å
296	W	96.5	Very high	96.1	Very high	26 Å²	26	51.1 Å²	51.1	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.4	179.2	-62.2	94.1	0	0	0	110.1	T284 Y285 T287 R294 I310 I311	T284-W296 WeakPolarHBondContact CA-O 3.32Å; Y285-W296 HydrophobicContact CD1-CB 3.88Å; Y285-W296 HydrophobicContact CD2-CB 4.23Å; Y285-W296 HydrophobicContact CD2-CG 4.45Å; Y285-W296 HydrophobicContact CE1-CB 3.46Å; Y285-W296 VanDerWaalsContact CE1-CB 3.46Å; Y285-W296 HydrophobicContact CE1-CG 4.19Å; Y285-W296 HydrophobicContact CE2-CB 3.82Å; Y285-W296 AromaticContact CE2-CD1 3.49Å; Y285-W296 VanDerWaalsContact CE2-CD1 3.49Å; Y285-W296 AromaticContact CE2-CG 3.76Å; Y285-W296 HydrophobicContact CE2-CG 3.76Å; Y285-W296 HydrophobicContact CG-CB 4.24Å; Y285-W296 VanDerWaalsContact CZ-CB 3.42Å; Y285-W296 AromaticContact CZ-CD1 3.84Å; Y285-W296 AromaticContact CZ-CG 3.62Å; Y285-W296 PolarHBondContact N-O 3.36Å; Y285-W296 VanDerWaalsContact N-O 3.09Å; Y285-W296 PolarHBondContact O-N 2.84Å; T287-W296 PolarHBondContact OG1-NE1 3.37Å; R294-W296 HydrophobicContact CG-CD2 4.17Å; R294-W296 HydrophobicContact CG-CG 4.46Å; R294-W296 HydrophobicContact CG-CZ2 4.12Å; W296-I310 HydrophobicContact CE3-CG2 3.86Å; W296-I310 HydrophobicContact CZ3-CG2 4.43Å; W296-I311 HydrophobicContact CD2-CG1 4.04Å; W296-I311 HydrophobicContact CE3-CG1 4.24Å; W296-I311 HydrophobicContact CH2-CB 3.95Å; W296-I311 HydrophobicContact CH2-CG1 3.83Å; W296-I311 HydrophobicContact CH2-CG2 3.78Å; W296-I311 HydrophobicContact CZ2-CB 4.14Å; W296-I311 HydrophobicContact CZ2-CD1 3.96Å; W296-I311 HydrophobicContact CZ2-CG1 3.62Å; W296-I311 HydrophobicContact CZ2-CG2 3.88Å; W296-I311 HydrophobicContact CZ3-CB 4.37Å; W296-I311 HydrophobicContact CZ3-CG1 4.14Å
297	T	95.3	Very high	96.1	Very high	39 Å²	39	51.1 Å²	51.1	24%	0.239	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.8	171.8	-68.7	0	0	0	0	111.1	T66 Y277 L282 I310	T66-T297 PolarHBondContact OG1-OG1 2.8Å; Y277-T297 HydrophobicContact CE2-CG2 3.94Å; Y277-T297 WeakPolarHBondContact CE2-OG1 3.3Å; Y277-T297 VanDerWaalsContact OH-CA 3.3Å; Y277-T297 WeakPolarHBondContact OH-CA 3.46Å; Y277-T297 WeakPolarHBondContact OH-CB 3.4Å; Y277-T297 WeakPolarHBondContact OH-CG2 3.42Å; Y277-T297 PolarHBondContact OH-OG1 3.05Å; L282-T297 HydrophobicContact CB-CG2 4.23Å; L282-T297 HydrophobicContact CD1-CG2 4.03Å; L282-T297 HydrophobicContact CD2-CG2 3.69Å; L282-T297 HydrophobicContact CG-CG2 4.2Å; T297-I310 WeakPolarHBondContact O-CD1 3.16Å
298	F	95.6	Very high	96.1	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.022	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.8	165.4	72.6	-80.7	0	0	0	110.9	L282 A283 Y285 I310 V354	L282-F298 CarbonylContact C-O 3.58Å; L282-F298 WeakPolarHBondContact CA-O 3.32Å; A283-F298 HydrophobicContact CB-CD1 4.17Å; A283-F298 HydrophobicContact CB-CD2 4.48Å; A283-F298 HydrophobicContact CB-CE1 3.58Å; A283-F298 HydrophobicContact CB-CE2 3.93Å; A283-F298 HydrophobicContact CB-CZ 3.44Å; A283-F298 VanDerWaalsContact CB-CZ 3.44Å; A283-F298 PolarHBondContact N-O 2.76Å; A283-F298 WeakPolarHBondContact O-CD1 3.3Å; A283-F298 PolarHBondContact O-N 3.42Å; Y285-F298 AromaticContact CD1-CD1 3.66Å; Y285-F298 HydrophobicContact CD1-CD1 3.66Å; Y285-F298 HydrophobicContact CD1-CE1 4.21Å; Y285-F298 HydrophobicContact CD1-CG 4.32Å; Y285-F298 HydrophobicContact CG-CD1 4.49Å; F298-I310 HydrophobicContact CB-CD1 3.59Å; F298-V354 HydrophobicContact CD1-CG1 4.46Å; F298-V354 HydrophobicContact CD2-CB 4.41Å; F298-V354 HydrophobicContact CE1-CG1 3.88Å; F298-V354 HydrophobicContact CE2-CB 3.92Å; F298-V354 HydrophobicContact CE2-CG1 4.04Å; F298-V354 WeakPolarHBondContact CE2-O 3.44Å; F298-V354 HydrophobicContact CZ-CB 4.04Å; F298-V354 HydrophobicContact CZ-CG1 3.64Å
299	R	95.3	Very high	96.2	Very high	125 Å²	125	48.7 Å²	48.7	47%	0.472	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.3	173.2	-69.9	176.3	-176.6	-110.2	9.3	110	L3 G281 L282 G301 T302	L3-R299 VanDerWaalsContact CD1-CZ 3.42Å; L3-R299 VanDerWaalsContact CD1-NH1 3.28Å; L3-R299 VanDerWaalsContact CD2-CZ 3.47Å; L3-R299 VanDerWaalsContact CG-CZ 3.42Å; G281-R299 CarbonylContact O-C 3.6Å; G281-R299 WeakPolarHBondContact O-CA 3.42Å; L282-R299 HydrophobicContact CD2-CG 3.89Å; R299-G301 PolarHBondContact O-N 2.77Å; R299-T302 PolarHBondContact N-OG1 3.41Å; R299-T302 VanDerWaalsContact O-CB 3.3Å; R299-T302 WeakPolarHBondContact O-CB 3.3Å; R299-T302 PolarHBondContact O-N 3.35Å; R299-T302 PolarHBondContact O-OG1 3.17Å
300	K	95.7	Very high	96.3	Very high	105 Å²	105	50.6 Å²	50.6	46%	0.457	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	130.5	172.7	-66.9	175.3	-177.7	175.3	0	110.1	D278 G281 L282 A283	D278-K300 WeakPolarHBondContact OD1-CE 3.19Å; D278-K300 IonicContact OD1-NZ 2.72Å; D278-K300 PolarHBondContact OD1-NZ 2.82Å; D278-K300 IonicContact OD2-NZ 2.6Å; D278-K300 PolarHBondContact OD2-NZ 2.78Å; G281-K300 PolarHBondContact O-N 2.94Å; L282-K300 WeakPolarHBondContact O-CE 3.49Å; A283-K300 HydrophobicContact CB-CG 3.98Å
301	G	95.8	Very high	96.5	Very high	52 Å²	52	45.8 Å²	45.8	54%	0.536	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	-2.7	-172.9	0	0	0	0	0	115.7	R299	R299-G301 PolarHBondContact O-N 2.77Å
302	T	97.5	Very high	96.4	Very high	22 Å²	22	44.7 Å²	44.7	14%	0.135	22%	0.223	C	C	.	.			trans	-64.1	132.4	174.6	-60.2	0	0	0	0	110.9	R299 Q306 A307 V354	R299-T302 PolarHBondContact N-OG1 3.41Å; R299-T302 VanDerWaalsContact O-CB 3.3Å; R299-T302 WeakPolarHBondContact O-CB 3.3Å; R299-T302 PolarHBondContact O-N 3.35Å; R299-T302 PolarHBondContact O-OG1 3.17Å; T302-Q306 HydrophobicContact CG2-CB 3.56Å; T302-A307 HydrophobicContact CG2-CB 4.19Å; T302-V354 PolarHBondContact O-N 2.82Å
303	K	98.3	Very high	96.3	Very high	81 Å²	81	45.7 Å²	45.7	35%	0.352	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-81.9	155.2	176.3	-68.6	-171.4	170.2	-167.3	0	112	P305 Q306 A307 D351 Y352	K303-P305 VanDerWaalsContact C-CD 3.48Å; K303-P305 VanDerWaalsContact O-N 3.17Å; K303-Q306 WeakPolarHBondContact O-CB 3.37Å; K303-Q306 PolarHBondContact O-N 3.39Å; K303-A307 PolarHBondContact O-N 3.16Å; K303-D351 IonicContact NZ-OD1 3.98Å; K303-D351 PolarHBondContact NZ-OD1 3.26Å; K303-Y352 CarbonylContact C-O 3.57Å; K303-Y352 VanDerWaalsContact CA-O 3.26Å; K303-Y352 WeakPolarHBondContact CA-O 3.47Å
304	A	98.1	Very high	96.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-50.7	-41.3	-177	0	0	0	0	0	115.4	Q306 A307 A308 F319 Y352 V354 M360 F362	A304-Q306 PolarHBondContact O-N 3.37Å; A304-A307 PolarHBondContact O-N 3.38Å; A304-A308 PolarHBondContact O-N 3.29Å; A304-F319 HydrophobicContact CB-CE2 3.85Å; A304-F319 HydrophobicContact CB-CZ 3.61Å; A304-Y352 HydrophobicContact CB-CD1 4.33Å; A304-Y352 PolarHBondContact N-O 3.21Å; A304-V354 HydrophobicContact CB-CG2 4.48Å; A304-M360 HydrophobicContact CB-CE 4.42Å; A304-F362 WeakPolarHBondContact O-CE1 3.18Å
305	P	97.9	Very high	96.2	Very high	18 Å²	18	47 Å²	47	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-40.4	175.7	-22.4	34.5	0	0	0	113.3	K303 A307 A308 G309 E316 F319 K350	K303-P305 VanDerWaalsContact C-CD 3.48Å; K303-P305 VanDerWaalsContact O-N 3.17Å; P305-A307 VanDerWaalsContact C-N 3.33Å; P305-A308 WeakPolarHBondContact O-CB 3.2Å; P305-A308 PolarHBondContact O-N 2.97Å; P305-G309 PolarHBondContact O-N 3.46Å; P305-E316 HydrophobicContact CB-CG 4.32Å; P305-E316 WeakPolarHBondContact O-CA 3.45Å; P305-E316 VanDerWaalsContact O-CB 3.26Å; P305-E316 WeakPolarHBondContact O-CB 3.27Å; P305-E316 WeakPolarHBondContact O-CG 3.33Å; P305-F319 HydrophobicContact CB-CB 4.04Å; P305-F319 HydrophobicContact CB-CD1 4.39Å; P305-F319 HydrophobicContact CB-CD2 4.16Å; P305-F319 HydrophobicContact CB-CG 3.95Å; P305-F319 HydrophobicContact CG-CB 4.38Å; P305-F319 HydrophobicContact CG-CD1 3.83Å; P305-F319 HydrophobicContact CG-CD2 4.23Å; P305-F319 HydrophobicContact CG-CE1 4.1Å; P305-F319 HydrophobicContact CG-CE2 4.45Å; P305-F319 HydrophobicContact CG-CG 3.9Å; P305-F319 HydrophobicContact CG-CZ 4.39Å; P305-K350 VanDerWaalsContact CD-O 3.28Å; P305-K350 WeakPolarHBondContact CD-O 3.41Å; P305-K350 HydrophobicContact CG-CB 3.96Å; P305-K350 HydrophobicContact CG-CG 4Å
306	Q	97.4	Very high	96.1	Very high	95 Å²	95	50.8 Å²	50.8	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-68.3	-37.6	178.4	-63.1	171.2	-49	0	0	110.6	T302 K303 A304 A308 G309 I310	T302-Q306 HydrophobicContact CG2-CB 3.56Å; K303-Q306 WeakPolarHBondContact O-CB 3.37Å; K303-Q306 PolarHBondContact O-N 3.39Å; A304-Q306 PolarHBondContact O-N 3.37Å; Q306-A308 VanDerWaalsContact C-N 3.33Å; Q306-A308 PolarHBondContact O-N 3.01Å; Q306-G309 WeakPolarHBondContact O-CA 3.34Å; Q306-G309 PolarHBondContact O-N 2.7Å; Q306-G309 VanDerWaalsContact O-N 3.1Å; Q306-I310 PolarHBondContact O-N 2.57Å
307	A	97.5	Very high	96	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-42.6	173.8	0	0	0	0	0	111.7	Y285 T302 K303 A304 P305 G309 I310 V354 F362	Y285-A307 HydrophobicContact CD1-CB 4.45Å; Y285-A307 HydrophobicContact CE1-CB 3.97Å; Y285-A307 PolarHBondContact OH-O 3.27Å; T302-A307 HydrophobicContact CG2-CB 4.19Å; K303-A307 PolarHBondContact O-N 3.16Å; A304-A307 PolarHBondContact O-N 3.38Å; P305-A307 VanDerWaalsContact C-N 3.33Å; A307-G309 VanDerWaalsContact C-N 3.26Å; A307-G309 PolarHBondContact O-N 3.5Å; A307-I310 WeakPolarHBondContact O-CB 3.37Å; A307-I310 PolarHBondContact O-N 3.25Å; A307-V354 HydrophobicContact CB-CG2 3.59Å; A307-F362 HydrophobicContact CB-CZ 4.04Å
308	A	97.1	Very high	96	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-36.4	172.9	0	0	0	0	0	112	A304 P305 Q306 I310 I311 H312 F315 F319 F362	A304-A308 PolarHBondContact O-N 3.29Å; P305-A308 WeakPolarHBondContact O-CB 3.2Å; P305-A308 PolarHBondContact O-N 2.97Å; Q306-A308 VanDerWaalsContact C-N 3.33Å; Q306-A308 PolarHBondContact O-N 3.01Å; A308-I310 PolarHBondContact O-N 3.29Å; A308-I311 WeakPolarHBondContact O-CB 3.27Å; A308-I311 PolarHBondContact O-N 3.3Å; A308-I311 VanDerWaalsContact O-N 3.1Å; A308-H312 PolarHBondContact O-N 3.27Å; A308-F315 HydrophobicContact CB-CB 3.78Å; A308-F319 HydrophobicContact CB-CD2 4.09Å; A308-F362 HydrophobicContact CB-CB 4.22Å; A308-F362 HydrophobicContact CB-CD1 3.52Å; A308-F362 HydrophobicContact CB-CD2 3.9Å; A308-F362 HydrophobicContact CB-CE1 3.73Å; A308-F362 HydrophobicContact CB-CE2 4.1Å; A308-F362 HydrophobicContact CB-CG 3.6Å; A308-F362 HydrophobicContact CB-CZ 4.02Å
309	G	96.8	Very high	96.1	Very high	15 Å²	15	57.4 Å²	57.4	16%	0.155	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-25.8	175.5	0	0	0	0	0	114.9	P305 Q306 A307 I311 H312	P305-G309 PolarHBondContact O-N 3.46Å; Q306-G309 WeakPolarHBondContact O-CA 3.34Å; Q306-G309 PolarHBondContact O-N 2.7Å; Q306-G309 VanDerWaalsContact O-N 3.1Å; A307-G309 VanDerWaalsContact C-N 3.26Å; A307-G309 PolarHBondContact O-N 3.5Å; G309-I311 VanDerWaalsContact C-N 3.28Å; G309-I311 PolarHBondContact O-N 3.33Å; G309-H312 WeakPolarHBondContact CA-O 3.46Å; G309-H312 CarbonylContact O-C 3.46Å; G309-H312 PolarHBondContact O-N 2.91Å
310	I	95	Very high	96.2	Very high	71 Å²	71	56 Å²	56	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-36.4	174.2	-63	165	0	0	0	110.6	Y285 W296 T297 F298 Q306 A307 A308	Y285-I310 HydrophobicContact CE1-CD1 4.33Å; W296-I310 HydrophobicContact CE3-CG2 3.86Å; W296-I310 HydrophobicContact CZ3-CG2 4.43Å; T297-I310 WeakPolarHBondContact O-CD1 3.16Å; F298-I310 HydrophobicContact CB-CD1 3.59Å; Q306-I310 PolarHBondContact O-N 2.57Å; A307-I310 WeakPolarHBondContact O-CB 3.37Å; A307-I310 PolarHBondContact O-N 3.25Å; A308-I310 PolarHBondContact O-N 3.29Å
311	I	94.3	Very high	96.3	Very high	47 Å²	47	56.8 Å²	56.8	24%	0.241	29%	0.286	C	S	.	.	H	α-helix	trans	-70.7	-53.4	175.2	-52.7	-171.4	0	0	0	109.8	Y285 T287 W296 A308 G309 F315 F362	Y285-I311 VanDerWaalsContact OH-CG1 3.27Å; Y285-I311 WeakPolarHBondContact OH-CG1 3.47Å; T287-I311 HydrophobicContact CG2-CD1 3.81Å; W296-I311 HydrophobicContact CD2-CG1 4.04Å; W296-I311 HydrophobicContact CE3-CG1 4.24Å; W296-I311 HydrophobicContact CH2-CB 3.95Å; W296-I311 HydrophobicContact CH2-CG1 3.83Å; W296-I311 HydrophobicContact CH2-CG2 3.78Å; W296-I311 HydrophobicContact CZ2-CB 4.14Å; W296-I311 HydrophobicContact CZ2-CD1 3.96Å; W296-I311 HydrophobicContact CZ2-CG1 3.62Å; W296-I311 HydrophobicContact CZ2-CG2 3.88Å; W296-I311 HydrophobicContact CZ3-CB 4.37Å; W296-I311 HydrophobicContact CZ3-CG1 4.14Å; A308-I311 WeakPolarHBondContact O-CB 3.27Å; A308-I311 PolarHBondContact O-N 3.3Å; A308-I311 VanDerWaalsContact O-N 3.1Å; G309-I311 VanDerWaalsContact C-N 3.28Å; G309-I311 PolarHBondContact O-N 3.33Å; I311-F315 HydrophobicContact CB-CD2 4.25Å; I311-F315 HydrophobicContact CB-CE2 4.39Å; I311-F315 HydrophobicContact CG2-CD2 4.28Å; I311-F315 HydrophobicContact CG2-CE2 3.93Å; I311-F315 HydrophobicContact CG2-CZ 4.47Å; I311-F362 HydrophobicContact CD1-CD2 3.76Å; I311-F362 HydrophobicContact CD1-CE2 3.8Å
312	H	92.7	Very high	96.4	Very high	90 Å²	90	54.3 Å²	54.3	42%	0.417	26%	0.26	S	S	.	.			trans	-161.4	139.6	178	-163.1	-92.6	0	0	0	110.6	A308 G309 D314 F315	A308-H312 PolarHBondContact O-N 3.27Å; G309-H312 WeakPolarHBondContact CA-O 3.46Å; G309-H312 CarbonylContact O-C 3.46Å; G309-H312 PolarHBondContact O-N 2.91Å; H312-D314 IonicContact CE1-OD2 3.68Å; H312-D314 PolarHBondContact CE1-OD2 2.89Å; H312-D314 WeakPolarHBondContact ND1-CB 3.48Å; H312-D314 PolarHBondContact ND1-N 2.95Å; H312-D314 IonicContact ND1-OD2 3.91Å; H312-D314 PolarHBondContact O-N 3.48Å; H312-D314 VanDerWaalsContact O-N 3.13Å; H312-F315 HydrophobicContact CB-CD1 4.09Å; H312-F315 HydrophobicContact CB-CE1 4.3Å; H312-F315 HydrophobicContact CB-CG 4.46Å; H312-F315 WeakPolarHBondContact O-CB 3.27Å; H312-F315 PolarHBondContact O-N 2.83Å
313	T	94	Very high	96.4	Very high	90 Å²	90	54.4 Å²	54.4	55%	0.552	26%	0.259	S	S	*	.	H	α-helix	trans	-60.3	-28.2	-177.7	53.6	0	0	0	0	113.5	F315 E316 R317	T313-F315 VanDerWaalsContact C-N 3.29Å; T313-F315 PolarHBondContact O-N 3.36Å; T313-E316 PolarHBondContact O-N 2.9Å; T313-R317 WeakPolarHBondContact O-CG 3.33Å; T313-R317 PolarHBondContact O-N 3.43Å
314	D	96	Very high	96.4	Very high	54 Å²	54	50.6 Å²	50.6	29%	0.289	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-30.4	174	-71.9	-23.5	0	0	0	113.1	H312 E316 R317 G318 V366	H312-D314 IonicContact CE1-OD2 3.68Å; H312-D314 PolarHBondContact CE1-OD2 2.89Å; H312-D314 WeakPolarHBondContact ND1-CB 3.48Å; H312-D314 PolarHBondContact ND1-N 2.95Å; H312-D314 IonicContact ND1-OD2 3.91Å; H312-D314 PolarHBondContact O-N 3.48Å; H312-D314 VanDerWaalsContact O-N 3.13Å; D314-E316 VanDerWaalsContact C-N 3.34Å; D314-R317 PolarHBondContact O-N 2.74Å; D314-R317 IonicContact OD1-NH1 3.9Å; D314-G318 PolarHBondContact O-N 2.87Å; D314-V366 HydrophobicContact CB-CG2 4.09Å; D314-V366 VanDerWaalsContact O-CG2 3.25Å; D314-V366 WeakPolarHBondContact O-CG2 3.26Å
315	F	95.6	Very high	96.4	Very high	48 Å²	48	50.6 Å²	50.6	21%	0.211	24%	0.242	C	C	.	.	H	α-helix	trans	-70.3	-35.7	179.6	-71.6	22.6	0	0	0	110.7	A308 I311 H312 T313 F319 F362 F364	A308-F315 HydrophobicContact CB-CB 3.78Å; I311-F315 HydrophobicContact CB-CD2 4.25Å; I311-F315 HydrophobicContact CB-CE2 4.39Å; I311-F315 HydrophobicContact CG2-CD2 4.28Å; I311-F315 HydrophobicContact CG2-CE2 3.93Å; I311-F315 HydrophobicContact CG2-CZ 4.47Å; H312-F315 HydrophobicContact CB-CD1 4.09Å; H312-F315 HydrophobicContact CB-CE1 4.3Å; H312-F315 HydrophobicContact CB-CG 4.46Å; H312-F315 WeakPolarHBondContact O-CB 3.27Å; H312-F315 PolarHBondContact O-N 2.83Å; T313-F315 VanDerWaalsContact C-N 3.29Å; T313-F315 PolarHBondContact O-N 3.36Å; F315-F319 VanDerWaalsContact O-CA 3.3Å; F315-F319 WeakPolarHBondContact O-CA 3.49Å; F315-F319 WeakPolarHBondContact O-CB 3.43Å; F315-F319 PolarHBondContact O-N 3.13Å; F315-F362 HydrophobicContact CD2-CB 4.28Å; F315-F364 HydrophobicContact CB-CG 4.46Å; F315-F364 AromaticContact CD1-CD1 3.79Å; F315-F364 HydrophobicContact CD1-CD1 3.79Å; F315-F364 AromaticContact CD1-CD2 3.83Å; F315-F364 HydrophobicContact CD1-CD2 3.83Å; F315-F364 AromaticContact CD1-CE1 3.61Å; F315-F364 HydrophobicContact CD1-CE1 3.61Å; F315-F364 AromaticContact CD1-CE2 3.64Å; F315-F364 HydrophobicContact CD1-CE2 3.64Å; F315-F364 AromaticContact CD1-CG 3.92Å; F315-F364 HydrophobicContact CD1-CG 3.92Å; F315-F364 AromaticContact CD1-CZ 3.55Å; F315-F364 HydrophobicContact CD1-CZ 3.55Å; F315-F364 HydrophobicContact CD2-CD1 4.09Å; F315-F364 HydrophobicContact CD2-CE1 4.13Å; F315-F364 AromaticContact CE1-CD1 3.95Å; F315-F364 HydrophobicContact CE1-CD1 3.95Å; F315-F364 HydrophobicContact CE1-CD2 4.23Å; F315-F364 AromaticContact CE1-CE1 3.27Å; F315-F364 HydrophobicContact CE1-CE1 3.27Å; F315-F364 AromaticContact CE1-CE2 3.58Å; F315-F364 HydrophobicContact CE1-CE2 3.58Å; F315-F364 HydrophobicContact CE1-CG 4.4Å; F315-F364 AromaticContact CE1-CZ 3.06Å; F315-F364 HydrophobicContact CE1-CZ 3.06Å; F315-F364 HydrophobicContact CE2-CD1 4.2Å; F315-F364 AromaticContact CE2-CE1 3.79Å; F315-F364 HydrophobicContact CE2-CE1 3.79Å; F315-F364 HydrophobicContact CE2-CZ 4.43Å; F315-F364 AromaticContact CG-CD1 3.88Å; F315-F364 HydrophobicContact CG-CD1 3.88Å; F315-F364 HydrophobicContact CG-CD2 4.47Å; F315-F364 HydrophobicContact CG-CE1 4.05Å; F315-F364 HydrophobicContact CG-CG 4.13Å; F315-F364 HydrophobicContact CG-CZ 4.42Å; F315-F364 HydrophobicContact CZ-CD1 4.13Å; F315-F364 AromaticContact CZ-CE1 3.35Å; F315-F364 HydrophobicContact CZ-CE1 3.35Å; F315-F364 HydrophobicContact CZ-CE2 4.48Å; F315-F364 AromaticContact CZ-CZ 3.58Å; F315-F364 HydrophobicContact CZ-CZ 3.58Å
316	E	96.2	Very high	96.4	Very high	84 Å²	84	51.1 Å²	51.1	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-65.1	-47	173.6	-179.3	171.5	-167.7	0	0	111.2	P305 T313 D314 F319	P305-E316 HydrophobicContact CB-CG 4.32Å; P305-E316 WeakPolarHBondContact O-CA 3.45Å; P305-E316 VanDerWaalsContact O-CB 3.26Å; P305-E316 WeakPolarHBondContact O-CB 3.27Å; P305-E316 WeakPolarHBondContact O-CG 3.33Å; T313-E316 PolarHBondContact O-N 2.9Å; D314-E316 VanDerWaalsContact C-N 3.34Å; E316-F319 WeakPolarHBondContact O-CB 3.15Å; E316-F319 PolarHBondContact O-N 3.15Å
317	R	94.3	Very high	96.5	Very high	193 Å²	193	46.8 Å²	46.8	73%	0.728	23%	0.226	S	C	*	.	H	α-helix	trans	-65.2	-43.2	-179.4	-69.2	175	64.5	-156.5	-0.3	112.5	T313 D314	T313-R317 WeakPolarHBondContact O-CG 3.33Å; T313-R317 PolarHBondContact O-N 3.43Å; D314-R317 PolarHBondContact O-N 2.74Å; D314-R317 IonicContact OD1-NH1 3.9Å
318	G	95.7	Very high	96.5	Very high	8 Å²	8	52.2 Å²	52.2	8%	0.082	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.4	-178.6	0	0	0	0	0	114.5	D314 I320 F364 N365	D314-G318 PolarHBondContact O-N 2.87Å; G318-I320 PolarHBondContact O-N 3.46Å; G318-F364 CarbonylContact O-C 3.5Å; G318-F364 WeakPolarHBondContact O-CA 3.23Å; G318-F364 WeakPolarHBondContact O-CB 3.14Å; G318-N365 VanDerWaalsContact CA-O 3.27Å; G318-N365 WeakPolarHBondContact CA-O 3.1Å; G318-N365 PolarHBondContact O-N 3.07Å
319	F	97.8	Very high	96.5	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.035	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	125.1	-169.8	-176.3	-83.9	0	0	0	112.6	A304 P305 A308 F315 E316 A322 K350 F362	A304-F319 HydrophobicContact CB-CE2 3.85Å; A304-F319 HydrophobicContact CB-CZ 3.61Å; P305-F319 HydrophobicContact CB-CB 4.04Å; P305-F319 HydrophobicContact CB-CD1 4.39Å; P305-F319 HydrophobicContact CB-CD2 4.16Å; P305-F319 HydrophobicContact CB-CG 3.95Å; P305-F319 HydrophobicContact CG-CB 4.38Å; P305-F319 HydrophobicContact CG-CD1 3.83Å; P305-F319 HydrophobicContact CG-CD2 4.23Å; P305-F319 HydrophobicContact CG-CE1 4.1Å; P305-F319 HydrophobicContact CG-CE2 4.45Å; P305-F319 HydrophobicContact CG-CG 3.9Å; P305-F319 HydrophobicContact CG-CZ 4.39Å; A308-F319 HydrophobicContact CB-CD2 4.09Å; F315-F319 VanDerWaalsContact O-CA 3.3Å; F315-F319 WeakPolarHBondContact O-CA 3.49Å; F315-F319 WeakPolarHBondContact O-CB 3.43Å; F315-F319 PolarHBondContact O-N 3.13Å; E316-F319 WeakPolarHBondContact O-CB 3.15Å; E316-F319 PolarHBondContact O-N 3.15Å; F319-A322 HydrophobicContact CE2-CB 4.25Å; F319-A322 HydrophobicContact CZ-CB 4.21Å; F319-K350 HydrophobicContact CD1-CG 3.66Å; F319-K350 HydrophobicContact CE1-CG 3.84Å; F319-K350 WeakPolarHBondContact O-CE 3.48Å; F319-F362 HydrophobicContact CD2-CD1 4.26Å; F319-F362 AromaticContact CE2-CD1 3.76Å; F319-F362 HydrophobicContact CE2-CD1 3.76Å; F319-F362 HydrophobicContact CE2-CE1 4.17Å
320	I	97.5	Very high	96.5	Very high	94 Å²	94	53 Å²	53	48%	0.482	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-63	173.5	-62.3	169.3	0	0	0	109.5	G318 R363 N365	G318-I320 PolarHBondContact O-N 3.46Å; I320-R363 WeakPolarHBondContact CA-O 3.5Å; I320-R363 HydrophobicContact CB-CB 4.39Å; I320-R363 WeakPolarHBondContact CB-O 3.47Å; I320-R363 PolarHBondContact N-O 2.93Å; I320-N365 HydrophobicContact CD1-CB 3.75Å
321	R	97.5	Very high	96.6	Very high	123 Å²	123	52 Å²	52	46%	0.464	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.1	179.8	-71	-162.3	-174.3	-138.7	3.2	110.5	L347 E348 R363	R321-L347 PolarHBondContact NH1-O 2.86Å; R321-E348 WeakPolarHBondContact CA-O 3.32Å; R321-E348 WeakPolarHBondContact CB-O 3.19Å; R321-R363 PolarHBondContact N-O 3.28Å; R321-R363 WeakPolarHBondContact O-CB 3.31Å; R321-R363 PolarHBondContact O-N 3.12Å
322	A	97.8	Very high	96.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.7	166.2	0	0	0	0	0	110.1	F319 L347 E348 M360 L361 F362	F319-A322 HydrophobicContact CE2-CB 4.25Å; F319-A322 HydrophobicContact CZ-CB 4.21Å; A322-L347 CarbonylContact O-C 3.57Å; A322-L347 WeakPolarHBondContact O-CA 3.34Å; A322-E348 HydrophobicContact CB-CB 4.47Å; A322-E348 PolarHBondContact N-O 3.23Å; A322-E348 PolarHBondContact O-N 3.19Å; A322-M360 HydrophobicContact CB-CE 3.54Å; A322-L361 WeakPolarHBondContact CA-O 3.07Å; A322-F362 HydrophobicContact CB-CD1 3.82Å; A322-F362 HydrophobicContact CB-CE1 3.93Å
323	E	97.2	Very high	96.9	Very high	24 Å²	24	55.9 Å²	55.9	11%	0.112	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.6	160.8	-51.4	-168.6	-134.9	0	0	107	V345 R346 L347 M360 L361 R363	E323-V345 HydrophobicContact CB-CG1 4.43Å; E323-R346 CarbonylContact C-O 3.51Å; E323-R346 WeakPolarHBondContact CA-O 3.32Å; E323-L347 HydrophobicContact CB-CD2 4.38Å; E323-L347 HydrophobicContact CG-CD2 3.66Å; E323-M360 CarbonylContact O-C 3.58Å; E323-M360 WeakPolarHBondContact O-CA 3.34Å; E323-L361 HydrophobicContact CB-CB 4.28Å; E323-L361 PolarHBondContact N-O 2.79Å; E323-L361 PolarHBondContact O-N 3.5Å; E323-R363 VanDerWaalsContact CD-NH2 3.28Å; E323-R363 IonicContact OE1-CZ 3.99Å; E323-R363 IonicContact OE1-NE 3.9Å; E323-R363 PolarHBondContact OE1-NE 3.45Å; E323-R363 IonicContact OE1-NH2 3.62Å; E323-R363 PolarHBondContact OE1-NH2 2.93Å; E323-R363 IonicContact OE2-NH2 3.77Å
324	T	98.3	Very high	96.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.4	-170.2	-56.7	0	0	0	0	110.4	R346 E348 Y352 D358 M360	T324-R346 PolarHBondContact N-O 3.16Å; T324-R346 PolarHBondContact O-N 3.35Å; T324-E348 HydrophobicContact CG2-CG 4.48Å; T324-Y352 HydrophobicContact CG2-CE1 4.12Å; T324-D358 HydrophobicContact CG2-CB 3.97Å; T324-D358 VanDerWaalsContact CG2-CG 3.47Å; T324-D358 WeakPolarHBondContact CG2-OD1 3.49Å; T324-M360 HydrophobicContact CG2-CG 4.19Å
325	V	98.3	Very high	96.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.1	169.5	64.3	0	0	0	0	107.1	D329 L330 M336 A339 R344 V345 V359	V325-D329 HydrophobicContact CG2-CB 3.8Å; V325-L330 HydrophobicContact CG1-CB 4.06Å; V325-L330 HydrophobicContact CG1-CD1 4.49Å; V325-L330 HydrophobicContact CG1-CD2 4.21Å; V325-L330 HydrophobicContact CG1-CG 4.48Å; V325-L330 HydrophobicContact CG2-CB 4.33Å; V325-M336 HydrophobicContact CG1-CE 3.74Å; V325-M336 HydrophobicContact CG1-SD 3.99Å; V325-A339 HydrophobicContact CG2-CB 4.19Å; V325-R344 HydrophobicContact CG2-CB 4.36Å; V325-V345 HydrophobicContact CB-CG2 4.24Å; V325-V345 HydrophobicContact CG2-CG2 4.42Å; V325-V359 HydrophobicContact CG1-CB 3.89Å; V325-V359 PolarHBondContact N-O 3.23Å; V325-V359 VanDerWaalsContact N-O 3.08Å; V325-V359 PolarHBondContact O-N 3.45Å
326	S	98.2	Very high	96.4	Very high	30 Å²	30	54.1 Å²	54.1	21%	0.21	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	150.4	171.6	54.1	0	0	0	0	109.5	D328 D329 L330	S326-D328 VanDerWaalsContact C-N 3.25Å; S326-D328 PolarHBondContact O-N 3.31Å; S326-D329 PolarHBondContact O-N 2.99Å; S326-D329 PolarHBondContact OG-N 2.88Å; S326-L330 PolarHBondContact O-N 3.03Å
327	F	98.2	Very high	96.2	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-51.2	-46.8	172.1	167.9	-92.4	0	0	0	111.4	W49 R50 R53 L54 D329 L330 D331 G357 V359	W49-F327 HydrophobicContact CE3-CE1 4.41Å; W49-F327 HydrophobicContact CE3-CZ 4.06Å; W49-F327 HydrophobicContact CH2-CD1 4.4Å; W49-F327 AromaticContact CH2-CE1 3.28Å; W49-F327 HydrophobicContact CH2-CE1 3.28Å; W49-F327 AromaticContact CH2-CZ 3.7Å; W49-F327 HydrophobicContact CH2-CZ 3.7Å; W49-F327 AromaticContact CZ2-CE1 3.85Å; W49-F327 HydrophobicContact CZ2-CE1 3.85Å; W49-F327 HydrophobicContact CZ2-CZ 4.44Å; W49-F327 AromaticContact CZ3-CE1 3.58Å; W49-F327 HydrophobicContact CZ3-CE1 3.58Å; W49-F327 AromaticContact CZ3-CZ 3.45Å; W49-F327 HydrophobicContact CZ3-CZ 3.45Å; W49-F327 VanDerWaalsContact CZ3-CZ 3.45Å; R50-F327 HydrophobicContact CB-CD1 4.16Å; R50-F327 HydrophobicContact CB-CD2 3.64Å; R50-F327 HydrophobicContact CB-CE1 4.13Å; R50-F327 HydrophobicContact CB-CE2 3.57Å; R50-F327 HydrophobicContact CB-CG 3.93Å; R50-F327 HydrophobicContact CB-CZ 3.82Å; R50-F327 HydrophobicContact CG-CD1 3.73Å; R50-F327 HydrophobicContact CG-CD2 4.17Å; R50-F327 HydrophobicContact CG-CE1 3.71Å; R50-F327 HydrophobicContact CG-CE2 4.11Å; R50-F327 HydrophobicContact CG-CG 3.98Å; R50-F327 HydrophobicContact CG-CZ 3.88Å; R50-F327 WeakPolarHBondContact O-CE2 3.4Å; R53-F327 HydrophobicContact CB-CE2 4.01Å; R53-F327 HydrophobicContact CB-CZ 3.95Å; R53-F327 HydrophobicContact CG-CE2 4.08Å; R53-F327 HydrophobicContact CG-CZ 3.87Å; L54-F327 HydrophobicContact CD1-CD2 4.14Å; L54-F327 HydrophobicContact CD2-CD2 4.18Å; L54-F327 HydrophobicContact CD2-CE2 4.45Å; L54-F327 HydrophobicContact CG-CD2 3.91Å; L54-F327 HydrophobicContact CG-CE2 4.01Å; F327-D329 VanDerWaalsContact C-N 3.31Å; F327-D329 PolarHBondContact O-N 3.37Å; F327-L330 CarbonylContact O-C 3.55Å; F327-L330 PolarHBondContact O-N 3.43Å; F327-D331 HydrophobicContact CE1-CB 4.23Å; F327-D331 HydrophobicContact CE2-CB 4.43Å; F327-D331 HydrophobicContact CZ-CB 4.06Å; F327-D331 PolarHBondContact O-N 3.25Å; F327-G357 WeakPolarHBondContact CA-O 3.48Å; F327-G357 WeakPolarHBondContact CB-O 3.39Å; F327-G357 PolarHBondContact N-O 3.43Å; F327-V359 HydrophobicContact CB-CG2 4.46Å
328	D	97.7	Very high	96.3	Very high	114 Å²	114	48.4 Å²	48.4	61%	0.61	25%	0.25	S	S	*	.	H	α-helix	trans	-57.3	-41.3	-179.8	-60.6	-17.9	0	0	0	113.3	S326 K332	S326-D328 VanDerWaalsContact C-N 3.25Å; S326-D328 PolarHBondContact O-N 3.31Å; D328-K332 WeakPolarHBondContact O-CB 3.37Å; D328-K332 PolarHBondContact O-N 2.93Å; D328-K332 VanDerWaalsContact O-N 3.11Å
329	D	98.1	Very high	96.3	Very high	24 Å²	24	48 Å²	48	13%	0.128	25%	0.246	C	C	.	.	H	α-helix	trans	-69.8	-42.9	175.9	-85.9	-33.9	0	0	0	109.6	V325 S326 F327 D331 K332 Y333 R344	V325-D329 HydrophobicContact CG2-CB 3.8Å; S326-D329 PolarHBondContact O-N 2.99Å; S326-D329 PolarHBondContact OG-N 2.88Å; F327-D329 VanDerWaalsContact C-N 3.31Å; F327-D329 PolarHBondContact O-N 3.37Å; D329-D331 PolarHBondContact O-N 3.43Å; D329-K332 PolarHBondContact O-N 3.02Å; D329-Y333 HydrophobicContact CB-CD2 4.49Å; D329-Y333 WeakPolarHBondContact O-CD2 3.35Å; D329-Y333 PolarHBondContact O-N 2.86Å; D329-R344 HydrophobicContact CB-CB 3.95Å; D329-R344 HydrophobicContact CB-CG 4.15Å; D329-R344 IonicContact OD1-CZ 2.83Å; D329-R344 IonicContact OD1-NE 3.66Å; D329-R344 IonicContact OD1-NH1 2.63Å; D329-R344 WeakPolarHBondContact OD2-CD 3.48Å; D329-R344 IonicContact OD2-NH1 3.14Å
330	L	96.3	Very high	96.1	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-42.4	-179.2	-172.8	57	0	0	0	112.6	L54 V325 S326 F327 Y333 G334 M336 A339 V359	L54-L330 HydrophobicContact CD2-CD2 3.62Å; L54-L330 HydrophobicContact CD2-CG 4.42Å; V325-L330 HydrophobicContact CG1-CB 4.06Å; V325-L330 HydrophobicContact CG1-CD1 4.49Å; V325-L330 HydrophobicContact CG1-CD2 4.21Å; V325-L330 HydrophobicContact CG1-CG 4.48Å; V325-L330 HydrophobicContact CG2-CB 4.33Å; S326-L330 PolarHBondContact O-N 3.03Å; F327-L330 CarbonylContact O-C 3.55Å; F327-L330 PolarHBondContact O-N 3.43Å; L330-Y333 PolarHBondContact O-N 2.8Å; L330-G334 WeakPolarHBondContact O-CA 3.25Å; L330-G334 PolarHBondContact O-N 3.35Å; L330-M336 HydrophobicContact CD1-CB 4.4Å; L330-M336 VanDerWaalsContact CD1-N 3.33Å; L330-A339 HydrophobicContact CD1-CB 4.47Å; L330-V359 HydrophobicContact CD2-CB 4.07Å; L330-V359 HydrophobicContact CD2-CG1 3.9Å; L330-V359 HydrophobicContact CD2-CG2 3.92Å
331	D	97.4	Very high	96	Very high	48 Å²	48	56 Å²	56	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-45	175.9	-177.7	46.9	0	0	0	111.2	R53 F327 D329 Y333 G334	R53-D331 WeakPolarHBondContact CG-OD1 3.46Å; R53-D331 IonicContact CZ-OD1 3.47Å; R53-D331 IonicContact NE-OD1 3.91Å; R53-D331 PolarHBondContact NE-OD1 2.9Å; R53-D331 IonicContact NH2-OD1 3.38Å; R53-D331 PolarHBondContact NH2-OD1 3.11Å; F327-D331 HydrophobicContact CE1-CB 4.23Å; F327-D331 HydrophobicContact CE2-CB 4.43Å; F327-D331 HydrophobicContact CZ-CB 4.06Å; F327-D331 PolarHBondContact O-N 3.25Å; D329-D331 PolarHBondContact O-N 3.43Å; D331-Y333 PolarHBondContact O-N 2.88Å; D331-G334 PolarHBondContact O-N 3.3Å
332	K	97.4	Very high	96	Very high	148 Å²	148	52 Å²	52	64%	0.643	27%	0.273	S	S	*	.	H	α-helix	trans	-59.9	-41.4	177.3	178.9	177.9	-179.2	174.3	0	113.7	D328 D329	D328-K332 WeakPolarHBondContact O-CB 3.37Å; D328-K332 PolarHBondContact O-N 2.93Å; D328-K332 VanDerWaalsContact O-N 3.11Å; D329-K332 PolarHBondContact O-N 3.02Å
333	Y	96	Very high	95.9	Very high	72 Å²	72	54.8 Å²	54.8	28%	0.282	30%	0.302	S	S	.	.	H	α-helix	trans	-92.3	-9.1	-178.2	-68.5	-75	0	0	0	113	D329 L330 D331 S335 A338 A339 A342 R344	D329-Y333 HydrophobicContact CB-CD2 4.49Å; D329-Y333 WeakPolarHBondContact O-CD2 3.35Å; D329-Y333 PolarHBondContact O-N 2.86Å; L330-Y333 PolarHBondContact O-N 2.8Å; D331-Y333 PolarHBondContact O-N 2.88Å; Y333-S335 PolarHBondContact O-N 3.43Å; Y333-A338 VanDerWaalsContact O-CB 3.3Å; Y333-A338 WeakPolarHBondContact O-CB 3.22Å; Y333-A339 HydrophobicContact CD2-CB 4.39Å; Y333-A339 HydrophobicContact CG-CB 4.47Å; Y333-A342 HydrophobicContact CD1-CB 3.71Å; Y333-A342 HydrophobicContact CD2-CB 4.33Å; Y333-A342 HydrophobicContact CE1-CB 3.26Å; Y333-A342 HydrophobicContact CE2-CB 4.04Å; Y333-A342 HydrophobicContact CG-CB 4.23Å; Y333-A342 VanDerWaalsContact CZ-CB 3.45Å; Y333-R344 HydrophobicContact CD2-CG 3.95Å; Y333-R344 HydrophobicContact CE2-CB 4.49Å; Y333-R344 HydrophobicContact CE2-CG 3.41Å; Y333-R344 VanDerWaalsContact CE2-CG 3.41Å
334	G	92.7	Very high	95.9	Very high	35 Å²	35	58.5 Å²	58.5	36%	0.361	32%	0.315	S	S	.	.	S	Bend	trans	71.2	-10.9	174.5	0	0	0	0	0	115.9	L330 D331	L330-G334 WeakPolarHBondContact O-CA 3.25Å; L330-G334 PolarHBondContact O-N 3.35Å; D331-G334 PolarHBondContact O-N 3.3Å
335	S	91.8	Very high	95.8	Very high	50 Å²	50	59.8 Å²	59.8	35%	0.35	32%	0.322	S	S	.	.	S	Bend	trans	-158.9	155.3	175.7	69.4	0	0	0	0	112.8	Y333 H337 A338 A339	Y333-S335 PolarHBondContact O-N 3.43Å; S335-H337 PolarHBondContact O-N 2.81Å; S335-A338 PolarHBondContact O-N 3.4Å; S335-A338 WeakPolarHBondContact OG-CB 3.38Å; S335-A338 PolarHBondContact OG-N 3.43Å; S335-A338 VanDerWaalsContact OG-N 3.12Å; S335-A339 WeakPolarHBondContact O-CB 3.34Å; S335-A339 PolarHBondContact O-N 2.97Å
336	M	90.5	Very high	95.8	Very high	70 Å²	70	63.6 Å²	63.6	35%	0.345	34%	0.337	S	S	.	.	H	α-helix	trans	-60	-33.8	175.2	-175.4	64.5	82	0	0	111.7	V325 L330 K340 V345	V325-M336 HydrophobicContact CG1-CE 3.74Å; V325-M336 HydrophobicContact CG1-SD 3.99Å; L330-M336 HydrophobicContact CD1-CB 4.4Å; L330-M336 VanDerWaalsContact CD1-N 3.33Å; M336-K340 VanDerWaalsContact O-CB 3.24Å; M336-K340 WeakPolarHBondContact O-CB 3.45Å; M336-K340 PolarHBondContact O-N 3.04Å; M336-V345 HydrophobicContact SD-CB 4.49Å; M336-V345 HydrophobicContact SD-CG1 4.13Å; M336-V345 HydrophobicContact SD-CG2 3.49Å; M336-V345 WeakPolarHBondContact SD-CG2 3.26Å
337	H	92.1	Very high	95.8	Very high	129 Å²	129	66.2 Å²	66.2	60%	0.597	35%	0.348	S	S	*	.	H	α-helix	trans	-66.3	-51.7	177.1	-176.6	63.4	0	0	0	111.6	S335 A339 K340 E341	S335-H337 PolarHBondContact O-N 2.81Å; H337-A339 PolarHBondContact O-N 3.14Å; H337-K340 WeakPolarHBondContact O-CB 3.36Å; H337-K340 PolarHBondContact O-N 3.13Å; H337-K340 VanDerWaalsContact O-N 3.14Å; H337-E341 IonicContact CE1-OE1 2.62Å; H337-E341 IonicContact NE2-OE1 3.92Å; H337-E341 PolarHBondContact NE2-OE1 3.02Å; H337-E341 PolarHBondContact O-N 3.09Å
338	A	95.1	Very high	95.8	Very high	28 Å²	28	67.9 Å²	67.9	23%	0.231	36%	0.356	C	S	.	.	H	α-helix	trans	-63.9	-40.3	178.2	0	0	0	0	0	112.1	Y333 S335 K340 E341 A342	Y333-A338 VanDerWaalsContact O-CB 3.3Å; Y333-A338 WeakPolarHBondContact O-CB 3.22Å; S335-A338 PolarHBondContact O-N 3.4Å; S335-A338 WeakPolarHBondContact OG-CB 3.38Å; S335-A338 PolarHBondContact OG-N 3.43Å; S335-A338 VanDerWaalsContact OG-N 3.12Å; A338-K340 VanDerWaalsContact C-N 3.27Å; A338-K340 PolarHBondContact O-N 3.41Å; A338-E341 PolarHBondContact O-N 2.95Å; A338-A342 WeakPolarHBondContact O-CB 3.35Å; A338-A342 PolarHBondContact O-N 3.44Å
339	A	95.4	Very high	95.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-36.2	174.5	0	0	0	0	0	111.9	V325 L330 Y333 S335 H337 A342 G343 R344 V345	V325-A339 HydrophobicContact CG2-CB 4.19Å; L330-A339 HydrophobicContact CD1-CB 4.47Å; Y333-A339 HydrophobicContact CD2-CB 4.39Å; Y333-A339 HydrophobicContact CG-CB 4.47Å; S335-A339 WeakPolarHBondContact O-CB 3.34Å; S335-A339 PolarHBondContact O-N 2.97Å; H337-A339 PolarHBondContact O-N 3.14Å; A339-A342 PolarHBondContact O-N 3.31Å; A339-G343 PolarHBondContact O-N 3.46Å; A339-R344 HydrophobicContact CB-CB 4.42Å; A339-R344 WeakPolarHBondContact O-CB 3.21Å; A339-R344 PolarHBondContact O-N 2.98Å; A339-V345 HydrophobicContact CB-CG2 3.99Å
340	K	95	Very high	95.6	Very high	120 Å²	120	68.7 Å²	68.7	52%	0.522	36%	0.361	S	S	.	.	H	α-helix	trans	-69.1	-43.4	176.3	-172.3	172.9	-175	166.2	0	112	M336 H337 A338 A342 G343 V345	M336-K340 VanDerWaalsContact O-CB 3.24Å; M336-K340 WeakPolarHBondContact O-CB 3.45Å; M336-K340 PolarHBondContact O-N 3.04Å; H337-K340 WeakPolarHBondContact O-CB 3.36Å; H337-K340 PolarHBondContact O-N 3.13Å; H337-K340 VanDerWaalsContact O-N 3.14Å; A338-K340 VanDerWaalsContact C-N 3.27Å; A338-K340 PolarHBondContact O-N 3.41Å; K340-A342 VanDerWaalsContact C-N 3.25Å; K340-A342 PolarHBondContact O-N 3.01Å; K340-G343 PolarHBondContact O-N 3.05Å; K340-V345 HydrophobicContact CB-CB 4.2Å; K340-V345 HydrophobicContact CB-CG2 3.84Å; K340-V345 HydrophobicContact CG-CB 4.4Å
341	E	95.9	Very high	95.7	Very high	148 Å²	148	74.1 Å²	74.1	69%	0.692	39%	0.39	S	S	*	.	H	α-helix	trans	-62.8	-34.6	174.4	-68.7	-169.9	146.6	0	0	112	H337 A338 G343	H337-E341 IonicContact CE1-OE1 2.62Å; H337-E341 IonicContact NE2-OE1 3.92Å; H337-E341 PolarHBondContact NE2-OE1 3.02Å; H337-E341 PolarHBondContact O-N 3.09Å; A338-E341 PolarHBondContact O-N 2.95Å; E341-G343 PolarHBondContact O-N 3.49Å
342	A	96.5	Very high	95.7	Very high	40 Å²	40	73.5 Å²	73.5	33%	0.331	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	0.2	173.6	0	0	0	0	0	114.4	Y333 A338 A339 K340 R344	Y333-A342 HydrophobicContact CD1-CB 3.71Å; Y333-A342 HydrophobicContact CD2-CB 4.33Å; Y333-A342 HydrophobicContact CE1-CB 3.26Å; Y333-A342 HydrophobicContact CE2-CB 4.04Å; Y333-A342 HydrophobicContact CG-CB 4.23Å; Y333-A342 VanDerWaalsContact CZ-CB 3.45Å; A338-A342 WeakPolarHBondContact O-CB 3.35Å; A338-A342 PolarHBondContact O-N 3.44Å; A339-A342 PolarHBondContact O-N 3.31Å; K340-A342 VanDerWaalsContact C-N 3.25Å; K340-A342 PolarHBondContact O-N 3.01Å; A342-R344 VanDerWaalsContact C-N 3.31Å; A342-R344 HydrophobicContact CB-CG 4.23Å; A342-R344 PolarHBondContact O-N 3.48Å
343	G	95.6	Very high	95.7	Very high	59 Å²	59	69.1 Å²	69.1	61%	0.608	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	20.7	178.8	0	0	0	0	0	114.7	A339 K340 E341	A339-G343 PolarHBondContact O-N 3.46Å; K340-G343 PolarHBondContact O-N 3.05Å; E341-G343 PolarHBondContact O-N 3.49Å
344	R	97.3	Very high	95.9	Very high	101 Å²	101	65.9 Å²	65.9	38%	0.381	36%	0.358	S	S	.	.			trans	-89.9	-21.2	-179.6	-60.3	-52.8	-174.4	155.3	-10.6	114.5	V325 D329 Y333 A339 A342	V325-R344 HydrophobicContact CG2-CB 4.36Å; D329-R344 HydrophobicContact CB-CB 3.95Å; D329-R344 HydrophobicContact CB-CG 4.15Å; D329-R344 IonicContact OD1-CZ 2.83Å; D329-R344 IonicContact OD1-NE 3.66Å; D329-R344 IonicContact OD1-NH1 2.63Å; D329-R344 WeakPolarHBondContact OD2-CD 3.48Å; D329-R344 IonicContact OD2-NH1 3.14Å; Y333-R344 HydrophobicContact CD2-CG 3.95Å; Y333-R344 HydrophobicContact CE2-CB 4.49Å; Y333-R344 HydrophobicContact CE2-CG 3.41Å; Y333-R344 VanDerWaalsContact CE2-CG 3.41Å; A339-R344 HydrophobicContact CB-CB 4.42Å; A339-R344 WeakPolarHBondContact O-CB 3.21Å; A339-R344 PolarHBondContact O-N 2.98Å; A342-R344 VanDerWaalsContact C-N 3.31Å; A342-R344 HydrophobicContact CB-CG 4.23Å; A342-R344 PolarHBondContact O-N 3.48Å
345	V	97.1	Very high	96.1	Very high	27 Å²	27	68.9 Å²	68.9	16%	0.164	36%	0.362	C	S	.	.			trans	-79	121.3	174.8	-177.3	0	0	0	0	109.6	E323 V325 M336 A339 K340	E323-V345 HydrophobicContact CB-CG1 4.43Å; V325-V345 HydrophobicContact CB-CG2 4.24Å; V325-V345 HydrophobicContact CG2-CG2 4.42Å; M336-V345 HydrophobicContact SD-CB 4.49Å; M336-V345 HydrophobicContact SD-CG1 4.13Å; M336-V345 HydrophobicContact SD-CG2 3.49Å; M336-V345 WeakPolarHBondContact SD-CG2 3.26Å; A339-V345 HydrophobicContact CB-CG2 3.99Å; K340-V345 HydrophobicContact CB-CB 4.2Å; K340-V345 HydrophobicContact CB-CG2 3.84Å; K340-V345 HydrophobicContact CG-CB 4.4Å
346	R	97.4	Very high	96.4	Very high	81 Å²	81	70.3 Å²	70.3	31%	0.306	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	153.8	-177.1	-57.2	-176.8	-58.3	-82.7	5.3	110.8	E323 T324 E348 Y352 D358	E323-R346 CarbonylContact C-O 3.51Å; E323-R346 WeakPolarHBondContact CA-O 3.32Å; T324-R346 PolarHBondContact N-O 3.16Å; T324-R346 PolarHBondContact O-N 3.35Å; R346-E348 HydrophobicContact CB-CG 4.27Å; R346-E348 WeakPolarHBondContact CB-OE1 3.36Å; R346-E348 WeakPolarHBondContact CD-OE1 3.42Å; R346-E348 IonicContact CZ-OE1 2.62Å; R346-E348 IonicContact NE-OE1 3.16Å; R346-E348 PolarHBondContact NE-OE1 3.42Å; R346-Y352 PolarHBondContact NH2-OH 3.18Å; R346-D358 IonicContact NH2-OD1 2.98Å
347	L	97.4	Very high	96.8	Very high	85 Å²	85	67.1 Å²	67.1	45%	0.445	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	87.6	174.3	-71.1	-178.7	0	0	0	109.9	R321 A322 E323	R321-L347 PolarHBondContact NH1-O 2.86Å; A322-L347 CarbonylContact O-C 3.57Å; A322-L347 WeakPolarHBondContact O-CA 3.34Å; E323-L347 HydrophobicContact CB-CD2 4.38Å; E323-L347 HydrophobicContact CG-CD2 3.66Å
348	E	98.1	Very high	97.1	Very high	37 Å²	37	61.1 Å²	61.1	17%	0.173	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	139.4	-172.3	-62.5	-60.3	169.8	0	0	112.5	R321 A322 T324 R346 Y352	R321-E348 WeakPolarHBondContact CA-O 3.32Å; R321-E348 WeakPolarHBondContact CB-O 3.19Å; A322-E348 HydrophobicContact CB-CB 4.47Å; A322-E348 PolarHBondContact N-O 3.23Å; A322-E348 PolarHBondContact O-N 3.19Å; T324-E348 HydrophobicContact CG2-CG 4.48Å; R346-E348 HydrophobicContact CB-CG 4.27Å; R346-E348 WeakPolarHBondContact CB-OE1 3.36Å; R346-E348 WeakPolarHBondContact CD-OE1 3.42Å; R346-E348 IonicContact CZ-OE1 2.62Å; R346-E348 IonicContact NE-OE1 3.16Å; R346-E348 PolarHBondContact NE-OE1 3.42Å; E348-Y352 HydrophobicContact CB-CD1 3.88Å; E348-Y352 HydrophobicContact CB-CD2 4.16Å; E348-Y352 HydrophobicContact CB-CG 3.65Å; E348-Y352 HydrophobicContact CG-CD1 3.86Å; E348-Y352 HydrophobicContact CG-CD2 3.71Å; E348-Y352 HydrophobicContact CG-CE1 4.07Å; E348-Y352 HydrophobicContact CG-CE2 3.94Å; E348-Y352 HydrophobicContact CG-CG 3.66Å; E348-Y352 VanDerWaalsContact OE2-CD2 3.25Å; E348-Y352 WeakPolarHBondContact OE2-CD2 3.45Å
349	G	96.9	Very high	97.2	Very high	29 Å²	29	59.9 Å²	59.9	30%	0.299	31%	0.313	S	S	.	.			trans	-90.1	-174.6	-179.8	0	0	0	0	0	113.3	D351 Y352	G349-D351 PolarHBondContact O-N 3.23Å; G349-Y352 WeakPolarHBondContact O-CB 3.25Å; G349-Y352 PolarHBondContact O-N 3.24Å
350	K	96.1	Very high	97.4	Very high	126 Å²	126	60.1 Å²	60.1	55%	0.548	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.5	-178.1	-67.8	-174.7	175.5	-170	0	114.4	P305 F319	P305-K350 VanDerWaalsContact CD-O 3.28Å; P305-K350 WeakPolarHBondContact CD-O 3.41Å; P305-K350 HydrophobicContact CG-CB 3.96Å; P305-K350 HydrophobicContact CG-CG 4Å; F319-K350 HydrophobicContact CD1-CG 3.66Å; F319-K350 HydrophobicContact CE1-CG 3.84Å; F319-K350 WeakPolarHBondContact O-CE 3.48Å
351	D	97.1	Very high	97.4	Very high	123 Å²	123	59.3 Å²	59.3	66%	0.658	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.9	-178	-69.5	-53.4	0	0	0	114	K303 G349 V353	K303-D351 IonicContact NZ-OD1 3.98Å; K303-D351 PolarHBondContact NZ-OD1 3.26Å; G349-D351 PolarHBondContact O-N 3.23Å; D351-V353 PolarHBondContact O-N 2.95Å
352	Y	98.4	Very high	97.5	Very high	36 Å²	36	52.9 Å²	52.9	14%	0.141	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-63.3	129.2	175.3	-179.9	-107.3	0	0	0	110.2	K303 A304 T324 R346 E348 G349 V354 D358	K303-Y352 CarbonylContact C-O 3.57Å; K303-Y352 VanDerWaalsContact CA-O 3.26Å; K303-Y352 WeakPolarHBondContact CA-O 3.47Å; A304-Y352 HydrophobicContact CB-CD1 4.33Å; A304-Y352 PolarHBondContact N-O 3.21Å; T324-Y352 HydrophobicContact CG2-CE1 4.12Å; R346-Y352 PolarHBondContact NH2-OH 3.18Å; E348-Y352 HydrophobicContact CB-CD1 3.88Å; E348-Y352 HydrophobicContact CB-CD2 4.16Å; E348-Y352 HydrophobicContact CB-CG 3.65Å; E348-Y352 HydrophobicContact CG-CD1 3.86Å; E348-Y352 HydrophobicContact CG-CD2 3.71Å; E348-Y352 HydrophobicContact CG-CE1 4.07Å; E348-Y352 HydrophobicContact CG-CE2 3.94Å; E348-Y352 HydrophobicContact CG-CG 3.66Å; E348-Y352 VanDerWaalsContact OE2-CD2 3.25Å; E348-Y352 WeakPolarHBondContact OE2-CD2 3.45Å; G349-Y352 WeakPolarHBondContact O-CB 3.25Å; G349-Y352 PolarHBondContact O-N 3.24Å; Y352-V354 HydrophobicContact CD1-CG2 4.41Å; Y352-D358 VanDerWaalsContact CE1-OD2 3.27Å; Y352-D358 WeakPolarHBondContact CE1-OD2 3.23Å; Y352-D358 PolarHBondContact OH-OD1 3.22Å; Y352-D358 PolarHBondContact OH-OD2 3.03Å
353	V	98.3	Very high	97.5	Very high	56 Å²	56	56.6 Å²	56.6	34%	0.339	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-90.8	119.2	172.4	177.7	0	0	0	0	106.9	D351 Q355	D351-V353 PolarHBondContact O-N 2.95Å; V353-Q355 PolarHBondContact O-N 2.68Å; V353-Q355 PolarHBondContact O-NE2 2.98Å
354	V	98.4	Very high	97.4	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-63.1	135.6	-178.1	-177.6	0	0	0	0	109.7	Y285 F298 T302 A304 A307 Y352 D358 M360	Y285-V354 HydrophobicContact CD1-CG1 4.36Å; Y285-V354 HydrophobicContact CG-CG1 4.38Å; F298-V354 HydrophobicContact CD1-CG1 4.46Å; F298-V354 HydrophobicContact CD2-CB 4.41Å; F298-V354 HydrophobicContact CE1-CG1 3.88Å; F298-V354 HydrophobicContact CE2-CB 3.92Å; F298-V354 HydrophobicContact CE2-CG1 4.04Å; F298-V354 WeakPolarHBondContact CE2-O 3.44Å; F298-V354 HydrophobicContact CZ-CB 4.04Å; F298-V354 HydrophobicContact CZ-CG1 3.64Å; T302-V354 PolarHBondContact O-N 2.82Å; A304-V354 HydrophobicContact CB-CG2 4.48Å; A307-V354 HydrophobicContact CB-CG2 3.59Å; Y352-V354 HydrophobicContact CD1-CG2 4.41Å; V354-D358 HydrophobicContact CG1-CB 4.25Å; V354-M360 HydrophobicContact CB-SD 4.42Å; V354-M360 HydrophobicContact CG1-SD 3.6Å; V354-M360 HydrophobicContact CG2-CE 3.96Å; V354-M360 HydrophobicContact CG2-SD 3.93Å
355	Q	98.2	Very high	97.3	Very high	99 Å²	99	59.2 Å²	59.2	46%	0.463	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-98.9	151.5	177.8	-56.7	-56.5	-58.4	0	0	110	V353 G357 D358	V353-Q355 PolarHBondContact O-N 2.68Å; V353-Q355 PolarHBondContact O-NE2 2.98Å; Q355-G357 PolarHBondContact O-N 3.15Å; Q355-D358 PolarHBondContact N-OD2 3.24Å; Q355-D358 WeakPolarHBondContact O-CB 3.11Å; Q355-D358 PolarHBondContact O-N 2.77Å
356	D	97.8	Very high	96.6	Very high	79 Å²	79	63.9 Å²	63.9	42%	0.422	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	134.2	172.2	-174	53	0	0	0	109.9	R50 A283 T284 D358	R50-D356 IonicContact CZ-OD1 3.79Å; R50-D356 IonicContact CZ-OD2 2.76Å; R50-D356 IonicContact NH1-OD1 3.79Å; R50-D356 IonicContact NH1-OD2 3.67Å; R50-D356 PolarHBondContact NH1-OD2 2.92Å; R50-D356 IonicContact NH2-OD1 2.86Å; R50-D356 PolarHBondContact NH2-OD1 3.31Å; R50-D356 IonicContact NH2-OD2 3.98Å; R50-D356 PolarHBondContact NH2-OD2 3.36Å; A283-D356 HydrophobicContact CB-CB 3.88Å; T284-D356 PolarHBondContact N-OD1 3.21Å; D356-D358 VanDerWaalsContact C-N 3.35Å
357	G	98	Very high	96.6	Very high	3 Å²	3	63.1 Å²	63.1	3%	0.031	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	5.2	-175.6	0	0	0	0	0	115.3	T284 F327 Q355 V359	T284-G357 PolarHBondContact O-N 3.39Å; F327-G357 WeakPolarHBondContact CA-O 3.48Å; F327-G357 WeakPolarHBondContact CB-O 3.39Å; F327-G357 PolarHBondContact N-O 3.43Å; Q355-G357 PolarHBondContact O-N 3.15Å; G357-V359 PolarHBondContact O-N 3.36Å
358	D	98.6	Very high	96.6	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	134.4	172.6	-86	-26.9	0	0	0	110.8	Y285 F286 T324 R346 Y352 V354 Q355 D356 M360	Y285-D358 CarbonylContact C-O 3.58Å; Y285-D358 VanDerWaalsContact CA-O 3.29Å; Y285-D358 WeakPolarHBondContact CA-O 3.3Å; Y285-D358 WeakPolarHBondContact CB-O 3.37Å; F286-D358 PolarHBondContact N-O 2.9Å; T324-D358 HydrophobicContact CG2-CB 3.97Å; T324-D358 VanDerWaalsContact CG2-CG 3.47Å; T324-D358 WeakPolarHBondContact CG2-OD1 3.49Å; R346-D358 IonicContact NH2-OD1 2.98Å; Y352-D358 VanDerWaalsContact CE1-OD2 3.27Å; Y352-D358 WeakPolarHBondContact CE1-OD2 3.23Å; Y352-D358 PolarHBondContact OH-OD1 3.22Å; Y352-D358 PolarHBondContact OH-OD2 3.03Å; V354-D358 HydrophobicContact CG1-CB 4.25Å; Q355-D358 PolarHBondContact N-OD2 3.24Å; Q355-D358 WeakPolarHBondContact O-CB 3.11Å; Q355-D358 PolarHBondContact O-N 2.77Å; D356-D358 VanDerWaalsContact C-N 3.35Å; D358-M360 HydrophobicContact CB-CG 3.84Å; D358-M360 HydrophobicContact CB-SD 4.09Å
359	V	98.5	Very high	96.5	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.9	168.1	-171.6	0	0	0	0	108	L54 F286 A288 V325 F327 L330 G357	L54-V359 HydrophobicContact CD1-CG2 4.06Å; L54-V359 HydrophobicContact CD2-CG2 4.15Å; F286-V359 HydrophobicContact CB-CG1 4.48Å; F286-V359 HydrophobicContact CB-CG2 4.24Å; F286-V359 HydrophobicContact CD2-CG2 4.33Å; F286-V359 CarbonylContact O-C 3.55Å; F286-V359 WeakPolarHBondContact O-CA 3.39Å; A288-V359 HydrophobicContact CB-CG1 3.81Å; V325-V359 HydrophobicContact CG1-CB 3.89Å; V325-V359 PolarHBondContact N-O 3.23Å; V325-V359 VanDerWaalsContact N-O 3.08Å; V325-V359 PolarHBondContact O-N 3.45Å; F327-V359 HydrophobicContact CB-CG2 4.46Å; L330-V359 HydrophobicContact CD2-CB 4.07Å; L330-V359 HydrophobicContact CD2-CG1 3.9Å; L330-V359 HydrophobicContact CD2-CG2 3.92Å; G357-V359 PolarHBondContact O-N 3.36Å
360	M	98.2	Very high	96.5	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.9	-164.1	-57	-172.8	74.4	0	0	112.8	Y285 F286 A304 A322 E323 T324 V354 D358 F362	Y285-M360 HydrophobicContact CD2-CB 4.22Å; Y285-M360 HydrophobicContact CD2-CG 4.22Å; Y285-M360 HydrophobicContact CD2-SD 4.11Å; Y285-M360 HydrophobicContact CG-SD 4.16Å; F286-M360 PolarHBondContact O-N 3.12Å; A304-M360 HydrophobicContact CB-CE 4.42Å; A322-M360 HydrophobicContact CB-CE 3.54Å; E323-M360 CarbonylContact O-C 3.58Å; E323-M360 WeakPolarHBondContact O-CA 3.34Å; T324-M360 HydrophobicContact CG2-CG 4.19Å; V354-M360 HydrophobicContact CB-SD 4.42Å; V354-M360 HydrophobicContact CG1-SD 3.6Å; V354-M360 HydrophobicContact CG2-CE 3.96Å; V354-M360 HydrophobicContact CG2-SD 3.93Å; D358-M360 HydrophobicContact CB-CG 3.84Å; D358-M360 HydrophobicContact CB-SD 4.09Å; M360-F362 HydrophobicContact CB-CE2 4.32Å; M360-F362 HydrophobicContact CB-CZ 4.13Å; M360-F362 HydrophobicContact CE-CE1 3.57Å; M360-F362 HydrophobicContact CE-CZ 3.83Å; M360-F362 HydrophobicContact SD-CE1 4.33Å; M360-F362 HydrophobicContact SD-CZ 3.96Å
361	L	96.5	Very high	96.5	Very high	103 Å²	103	61.5 Å²	61.5	54%	0.539	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.7	165.5	178.9	67.9	0	0	0	109.6	A322 E323	A322-L361 WeakPolarHBondContact CA-O 3.07Å; E323-L361 HydrophobicContact CB-CB 4.28Å; E323-L361 PolarHBondContact N-O 2.79Å; E323-L361 PolarHBondContact O-N 3.5Å
362	F	97	Very high	96.4	Very high	14 Å²	14	57.4 Å²	57.4	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.3	-178	-62	-69.7	0	0	0	111.8	Y285 A304 A307 A308 I311 F315 F319 A322 M360	Y285-F362 AromaticContact CE2-CE2 3.78Å; Y285-F362 HydrophobicContact CE2-CE2 3.78Å; Y285-F362 HydrophobicContact CE2-CZ 4.13Å; Y285-F362 AromaticContact CZ-CE2 3.95Å; A304-F362 WeakPolarHBondContact O-CE1 3.18Å; A307-F362 HydrophobicContact CB-CZ 4.04Å; A308-F362 HydrophobicContact CB-CB 4.22Å; A308-F362 HydrophobicContact CB-CD1 3.52Å; A308-F362 HydrophobicContact CB-CD2 3.9Å; A308-F362 HydrophobicContact CB-CE1 3.73Å; A308-F362 HydrophobicContact CB-CE2 4.1Å; A308-F362 HydrophobicContact CB-CG 3.6Å; A308-F362 HydrophobicContact CB-CZ 4.02Å; I311-F362 HydrophobicContact CD1-CD2 3.76Å; I311-F362 HydrophobicContact CD1-CE2 3.8Å; F315-F362 HydrophobicContact CD2-CB 4.28Å; F319-F362 HydrophobicContact CD2-CD1 4.26Å; F319-F362 AromaticContact CE2-CD1 3.76Å; F319-F362 HydrophobicContact CE2-CD1 3.76Å; F319-F362 HydrophobicContact CE2-CE1 4.17Å; A322-F362 HydrophobicContact CB-CD1 3.82Å; A322-F362 HydrophobicContact CB-CE1 3.93Å; M360-F362 HydrophobicContact CB-CE2 4.32Å; M360-F362 HydrophobicContact CB-CZ 4.13Å; M360-F362 HydrophobicContact CE-CE1 3.57Å; M360-F362 HydrophobicContact CE-CZ 3.83Å; M360-F362 HydrophobicContact SD-CE1 4.33Å; M360-F362 HydrophobicContact SD-CZ 3.96Å
363	R	95.8	Very high	96.3	Very high	118 Å²	118	58.9 Å²	58.9	45%	0.445	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.8	167.3	-60.7	-172.4	178.3	-169	0.9	108.7	I320 R321 E323	I320-R363 WeakPolarHBondContact CA-O 3.5Å; I320-R363 HydrophobicContact CB-CB 4.39Å; I320-R363 WeakPolarHBondContact CB-O 3.47Å; I320-R363 PolarHBondContact N-O 2.93Å; R321-R363 PolarHBondContact N-O 3.28Å; R321-R363 WeakPolarHBondContact O-CB 3.31Å; R321-R363 PolarHBondContact O-N 3.12Å; E323-R363 VanDerWaalsContact CD-NH2 3.28Å; E323-R363 IonicContact OE1-CZ 3.99Å; E323-R363 IonicContact OE1-NE 3.9Å; E323-R363 PolarHBondContact OE1-NE 3.45Å; E323-R363 IonicContact OE1-NH2 3.62Å; E323-R363 PolarHBondContact OE1-NH2 2.93Å; E323-R363 IonicContact OE2-NH2 3.77Å
364	F	94.8	Very high	96.1	Very high	86 Å²	86	59.2 Å²	59.2	38%	0.377	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159.5	-179.8	68.8	-79.5	0	0	0	110.7	F315 G318 V366	F315-F364 HydrophobicContact CB-CG 4.46Å; F315-F364 AromaticContact CD1-CD1 3.79Å; F315-F364 HydrophobicContact CD1-CD1 3.79Å; F315-F364 AromaticContact CD1-CD2 3.83Å; F315-F364 HydrophobicContact CD1-CD2 3.83Å; F315-F364 AromaticContact CD1-CE1 3.61Å; F315-F364 HydrophobicContact CD1-CE1 3.61Å; F315-F364 AromaticContact CD1-CE2 3.64Å; F315-F364 HydrophobicContact CD1-CE2 3.64Å; F315-F364 AromaticContact CD1-CG 3.92Å; F315-F364 HydrophobicContact CD1-CG 3.92Å; F315-F364 AromaticContact CD1-CZ 3.55Å; F315-F364 HydrophobicContact CD1-CZ 3.55Å; F315-F364 HydrophobicContact CD2-CD1 4.09Å; F315-F364 HydrophobicContact CD2-CE1 4.13Å; F315-F364 AromaticContact CE1-CD1 3.95Å; F315-F364 HydrophobicContact CE1-CD1 3.95Å; F315-F364 HydrophobicContact CE1-CD2 4.23Å; F315-F364 AromaticContact CE1-CE1 3.27Å; F315-F364 HydrophobicContact CE1-CE1 3.27Å; F315-F364 AromaticContact CE1-CE2 3.58Å; F315-F364 HydrophobicContact CE1-CE2 3.58Å; F315-F364 HydrophobicContact CE1-CG 4.4Å; F315-F364 AromaticContact CE1-CZ 3.06Å; F315-F364 HydrophobicContact CE1-CZ 3.06Å; F315-F364 HydrophobicContact CE2-CD1 4.2Å; F315-F364 AromaticContact CE2-CE1 3.79Å; F315-F364 HydrophobicContact CE2-CE1 3.79Å; F315-F364 HydrophobicContact CE2-CZ 4.43Å; F315-F364 AromaticContact CG-CD1 3.88Å; F315-F364 HydrophobicContact CG-CD1 3.88Å; F315-F364 HydrophobicContact CG-CD2 4.47Å; F315-F364 HydrophobicContact CG-CE1 4.05Å; F315-F364 HydrophobicContact CG-CG 4.13Å; F315-F364 HydrophobicContact CG-CZ 4.42Å; F315-F364 HydrophobicContact CZ-CD1 4.13Å; F315-F364 AromaticContact CZ-CE1 3.35Å; F315-F364 HydrophobicContact CZ-CE1 3.35Å; F315-F364 HydrophobicContact CZ-CE2 4.48Å; F315-F364 AromaticContact CZ-CZ 3.58Å; F315-F364 HydrophobicContact CZ-CZ 3.58Å; G318-F364 CarbonylContact O-C 3.5Å; G318-F364 WeakPolarHBondContact O-CA 3.23Å; G318-F364 WeakPolarHBondContact O-CB 3.14Å; F364-V366 HydrophobicContact CD2-CG2 4.32Å
365	N	94.2	Very high	96	Very high	128 Å²	128	63.8 Å²	63.8	68%	0.684	32%	0.32	S	S	*	.			trans	-145.7	122.7	172.9	-173.8	44.6	0	0	0	109	G318 I320	G318-N365 VanDerWaalsContact CA-O 3.27Å; G318-N365 WeakPolarHBondContact CA-O 3.1Å; G318-N365 PolarHBondContact O-N 3.07Å; I320-N365 HydrophobicContact CD1-CB 3.75Å
366	V	83.9	Confident	95.8	Very high	126 Å²	126	60.6 Å²	60.6	76%	0.764	31%	0.307	S	S	*	.			trans	-123	0	-179	176.9	0	0	0	0	110.4	D314 F364	D314-V366 HydrophobicContact CB-CG2 4.09Å; D314-V366 VanDerWaalsContact O-CG2 3.25Å; D314-V366 WeakPolarHBondContact O-CG2 3.26Å; F364-V366 HydrophobicContact CD2-CG2 4.32Å

Retrieved 366 of 366 residues in 350.3 ms (Link to these results)

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